3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide

C130H158N18O15 — CID 159127685

IUPAC3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN1CCN(c2ccc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C(=O)C4CC4)c3)cc2)CC1
InChIInChI=1S/C34H43N5O3.C33H40N4O4.C32H38N4O4.C31H37N5O4/c1-6-37-14-16-38(17-15-37)28-12-10-25(11-13-28)27-19-29(24(5)31(20-27)39(7-2)34(42)26-8-9-26)32(40)35-21-30-22(3)18-23(4)36-33(30)41;1-5-37(33(40)26-10-11-26)30-18-27(25-8-6-24(7-9-25)20-36-12-14-41-15-13-36)17-28(23(30)4)31(38)34-19-29-21(2)16-22(3)35-32(29)39;1-5-36(32(39)24-6-7-24)29-18-25(23-8-10-26(11-9-23)35-12-14-40-15-13-35)17-27(22(29)4)30(37)33-19-28-20(2)16-21(3)34-31(28)38;1-5-36(31(39)22-6-7-22)27-16-24(23-8-9-28(32-17-23)35-10-12-40-13-11-35)15-25(21(27)4)29(37)33-18-26-19(2)14-20(3)34-30(26)38/h10-13,18-20,26H,6-9,14-17,21H2,1-5H3,(H,35,40)(H,36,41);6-9,16-18,26H,5,10-15,19-20H2,1-4H3,(H,34,38)(H,35,39);8-11,16-18,24H,5-7,12-15,19H2,1-4H3,(H,33,37)(H,34,38);8-9,14-17,22H,5-7,10-13,18H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyKGMJSYTVIMCWNT-UHFFFAOYSA-N
MW2212.80 g/mol
LogP17.68
Rot. Bonds34

About 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide

3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 159127685) has the molecular formula C130H158N18O15 and a molecular weight of 2212.80 g/mol. Its IUPAC name is 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID159127685
Molecular FormulaC130H158N18O15
Molecular Weight2212.80 g/mol
Exact Mass2211.22
IUPAC Name3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN1CCN(c2ccc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C(=O)C4CC4)c3)cc2)CC1
InChIInChI=1S/C34H43N5O3.C33H40N4O4.C32H38N4O4.C31H37N5O4/c1-6-37-14-16-38(17-15-37)28-12-10-25(11-13-28)27-19-29(24(5)31(20-27)39(7-2)34(42)26-8-9-26)32(40)35-21-30-22(3)18-23(4)36-33(30)41;1-5-37(33(40)26-10-11-26)30-18-27(25-8-6-24(7-9-25)20-36-12-14-41-15-13-36)17-28(23(30)4)31(38)34-19-29-21(2)16-22(3)35-32(29)39;1-5-36(32(39)24-6-7-24)29-18-25(23-8-10-26(11-9-23)35-12-14-40-15-13-35)17-27(22(29)4)30(37)33-19-28-20(2)16-21(3)34-31(28)38;1-5-36(31(39)22-6-7-22)27-16-24(23-8-9-28(32-17-23)35-10-12-40-13-11-35)15-25(21(27)4)29(37)33-18-26-19(2)14-20(3)34-30(26)38/h10-13,18-20,26H,6-9,14-17,21H2,1-5H3,(H,35,40)(H,36,41);6-9,16-18,26H,5,10-15,19-20H2,1-4H3,(H,34,38)(H,35,39);8-11,16-18,24H,5-7,12-15,19H2,1-4H3,(H,33,37)(H,34,38);8-9,14-17,22H,5-7,10-13,18H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyKGMJSYTVIMCWNT-UHFFFAOYSA-N
XLogP17.68
TPSA385.86 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002212.80
LogP ≤ 517.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 159127685) is 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide is CCN(C(=O)C1CC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN1CCN(c2ccc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C(=O)C4CC4)c3)cc2)CC1.
What is the InChIKey of 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is KGMJSYTVIMCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3.C33H40N4O4.C32H38N4O4.C31H37N5O4/c1-6-37-14-16-38(17-15-37)28-12-10-25(11-13-28)27-19-29(24(5)31(20-27)39(7-2)34(42)26-8-9-26)32(40)35-21-30-22(3)18-23(4)36-33(30)41;1-5-37(33(40)26-10-11-26)30-18-27(25-8-6-24(7-9-25)20-36-12-14-41-15-13-36)17-28(23(30)4)31(38)34-19-29-21(2)16-22(3)35-32(29)39;1-5-36(32(39)24-6-7-24)29-18-25(23-8-10-26(11-9-23)35-12-14-40-15-13-35)17-27(22(29)4)30(37)33-19-28-20(2)16-21(3)34-31(28)38;1-5-36(31(39)22-6-7-22)27-16-24(23-8-9-28(32-17-23)35-10-12-40-13-11-35)15-25(21(27)4)29(37)33-18-26-19(2)14-20(3)34-30(26)38/h10-13,18-20,26H,6-9,14-17,21H2,1-5H3,(H,35,40)(H,36,41);6-9,16-18,26H,5,10-15,19-20H2,1-4H3,(H,34,38)(H,35,39);8-11,16-18,24H,5-7,12-15,19H2,1-4H3,(H,33,37)(H,34,38);8-9,14-17,22H,5-7,10-13,18H2,1-4H3,(H,33,37)(H,34,38).
What are the key properties of 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide?
3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 2212.80 g/mol, XLogP of 17.68, 34 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 159127685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).