3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane

C63H88N14O5 — CID 158471983

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane
SMILESC.Cc1c(C(=O)O)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCC(N(C)C)CC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H41N7O2.C23H31N5O2.C8H12N2O.CH4/c1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-15-20(23(29)30)13-19-12-17(21-8-9-26(5)24-21)14-28(19)22(15)16(2)27-10-6-18(7-11-27)25(3)4;1-5-3-6(2)10-8(11)7(5)4-9;/h10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);8-9,12-14,16,18H,6-7,10-11H2,1-5H3,(H,29,30);3H,4,9H2,1-2H3,(H,10,11);1H4
InChIKeyHGLODHNYXIKSAC-UHFFFAOYSA-N
MW1121.49 g/mol
LogP8.49
Rot. Bonds13

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane (PubChem CID 158471983) has the molecular formula C63H88N14O5 and a molecular weight of 1121.49 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane
PubChem CID158471983
Molecular FormulaC63H88N14O5
Molecular Weight1121.49 g/mol
Exact Mass1120.71
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane
SMILESC.Cc1c(C(=O)O)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCC(N(C)C)CC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H41N7O2.C23H31N5O2.C8H12N2O.CH4/c1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-15-20(23(29)30)13-19-12-17(21-8-9-26(5)24-21)14-28(19)22(15)16(2)27-10-6-18(7-11-27)25(3)4;1-5-3-6(2)10-8(11)7(5)4-9;/h10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);8-9,12-14,16,18H,6-7,10-11H2,1-5H3,(H,29,30);3H,4,9H2,1-2H3,(H,10,11);1H4
InChIKeyHGLODHNYXIKSAC-UHFFFAOYSA-N
XLogP8.49
TPSA215.56 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.49
LogP ≤ 58.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane (CID 158471983) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane is C.Cc1c(C(=O)O)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCC(N(C)C)CC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane?
The InChIKey is HGLODHNYXIKSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O2.C23H31N5O2.C8H12N2O.CH4/c1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-15-20(23(29)30)13-19-12-17(21-8-9-26(5)24-21)14-28(19)22(15)16(2)27-10-6-18(7-11-27)25(3)4;1-5-3-6(2)10-8(11)7(5)4-9;/h10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);8-9,12-14,16,18H,6-7,10-11H2,1-5H3,(H,29,30);3H,4,9H2,1-2H3,(H,10,11);1H4.
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane has a molecular weight of 1121.49 g/mol, XLogP of 8.49, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylic acid;methane is sourced from PubChem (CID 158471983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).