2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C102H103F9N16O15 — CID 161133218

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c[nH]c(=O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C28H31N5O4.2C25H25F3N4O4.C24H22F3N3O3/c1-19-4-5-22(31-26(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(32-9-12-37-13-10-32)27(36)33(17-21)8-11-34;1-16-21(18-12-22(31-6-9-36-10-7-31)24(35)32(15-18)5-8-33)13-20(14-29-16)30-23(34)17-3-2-4-19(11-17)25(26,27)28;1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28;1-15-5-6-19(29-22(31)16-3-2-4-18(11-16)24(25,26)27)13-20(15)17-12-21(23(32)28-14-17)30-7-9-33-10-8-30/h4-7,14-17,34H,8-13H2,1-3H3,(H,31,35);2-4,11-15,33H,5-10H2,1H3,(H,30,34);2-4,11-15,33H,5-10H2,1H3,(H,31,34);2-6,11-14H,7-10H2,1H3,(H,28,32)(H,29,31)
InChIKeyUMLVXXGEPHPVRI-UHFFFAOYSA-N
MW1964.02 g/mol
LogP14.81
Rot. Bonds24

About 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 161133218) has the molecular formula C102H103F9N16O15 and a molecular weight of 1964.02 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID161133218
Molecular FormulaC102H103F9N16O15
Molecular Weight1964.02 g/mol
Exact Mass1962.76
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c[nH]c(=O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C28H31N5O4.2C25H25F3N4O4.C24H22F3N3O3/c1-19-4-5-22(31-26(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(32-9-12-37-13-10-32)27(36)33(17-21)8-11-34;1-16-21(18-12-22(31-6-9-36-10-7-31)24(35)32(15-18)5-8-33)13-20(14-29-16)30-23(34)17-3-2-4-19(11-17)25(26,27)28;1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28;1-15-5-6-19(29-22(31)16-3-2-4-18(11-16)24(25,26)27)13-20(15)17-12-21(23(32)28-14-17)30-7-9-33-10-8-30/h4-7,14-17,34H,8-13H2,1-3H3,(H,31,35);2-4,11-15,33H,5-10H2,1H3,(H,30,34);2-4,11-15,33H,5-10H2,1H3,(H,31,34);2-6,11-14H,7-10H2,1H3,(H,28,32)(H,29,31)
InChIKeyUMLVXXGEPHPVRI-UHFFFAOYSA-N
XLogP14.81
TPSA388.41 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001964.02
LogP ≤ 514.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 161133218) is 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c[nH]c(=O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UMLVXXGEPHPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4.2C25H25F3N4O4.C24H22F3N3O3/c1-19-4-5-22(31-26(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(32-9-12-37-13-10-32)27(36)33(17-21)8-11-34;1-16-21(18-12-22(31-6-9-36-10-7-31)24(35)32(15-18)5-8-33)13-20(14-29-16)30-23(34)17-3-2-4-19(11-17)25(26,27)28;1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28;1-15-5-6-19(29-22(31)16-3-2-4-18(11-16)24(25,26)27)13-20(15)17-12-21(23(32)28-14-17)30-7-9-33-10-8-30/h4-7,14-17,34H,8-13H2,1-3H3,(H,31,35);2-4,11-15,33H,5-10H2,1H3,(H,30,34);2-4,11-15,33H,5-10H2,1H3,(H,31,34);2-6,11-14H,7-10H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1964.02 g/mol, XLogP of 14.81, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161133218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).