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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid

C72H96N10O11 — CID 157119619

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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
SMILESCOc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.COc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.Cc1cc(C)c(CN)c(=O)[nH]1
InChIInChI=1S/C36H47N5O5.C28H37N3O5.C8H12N2O/c1-21-14-22(2)38-36(43)30(21)19-37-35(42)29-18-28-15-26(25-16-31(44-7)34(46-9)32(17-25)45-8)20-41(28)33(23(29)3)24(4)40-12-10-27(11-13-40)39(5)6;1-17-23(28(32)33)15-22-12-20(19-13-24(34-5)27(36-7)25(14-19)35-6)16-31(22)26(17)18(2)30-10-8-21(9-11-30)29(3)4;1-5-3-6(2)10-8(11)7(5)4-9/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43);12-16,18,21H,8-11H2,1-7H3,(H,32,33);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyAHUVSVLXVQBBGS-UHFFFAOYSA-N
MW1277.62 g/mol
LogP10.44
Rot. Bonds19

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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid

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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid (PubChem CID 157119619) has the molecular formula C72H96N10O11 and a molecular weight of 1277.62 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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid.

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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
PubChem CID157119619
Molecular FormulaC72H96N10O11
Molecular Weight1277.62 g/mol
Exact Mass1276.73
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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
SMILESCOc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.COc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.Cc1cc(C)c(CN)c(=O)[nH]1
InChIInChI=1S/C36H47N5O5.C28H37N3O5.C8H12N2O/c1-21-14-22(2)38-36(43)30(21)19-37-35(42)29-18-28-15-26(25-16-31(44-7)34(46-9)32(17-25)45-8)20-41(28)33(23(29)3)24(4)40-12-10-27(11-13-40)39(5)6;1-17-23(28(32)33)15-22-12-20(19-13-24(34-5)27(36-7)25(14-19)35-6)16-31(22)26(17)18(2)30-10-8-21(9-11-30)29(3)4;1-5-3-6(2)10-8(11)7(5)4-9/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43);12-16,18,21H,8-11H2,1-7H3,(H,32,33);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyAHUVSVLXVQBBGS-UHFFFAOYSA-N
XLogP10.44
TPSA235.30 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.62
LogP ≤ 510.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid 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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid (CID 157119619) 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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid.
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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid is COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.COc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.Cc1cc(C)c(CN)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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
The InChIKey is AHUVSVLXVQBBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N5O5.C28H37N3O5.C8H12N2O/c1-21-14-22(2)38-36(43)30(21)19-37-35(42)29-18-28-15-26(25-16-31(44-7)34(46-9)32(17-25)45-8)20-41(28)33(23(29)3)24(4)40-12-10-27(11-13-40)39(5)6;1-17-23(28(32)33)15-22-12-20(19-13-24(34-5)27(36-7)25(14-19)35-6)16-31(22)26(17)18(2)30-10-8-21(9-11-30)29(3)4;1-5-3-6(2)10-8(11)7(5)4-9/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43);12-16,18,21H,8-11H2,1-7H3,(H,32,33);3H,4,9H2,1-2H3,(H,10,11).
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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid has a molecular weight of 1277.62 g/mol, XLogP of 10.44, 19 rotatable bonds, 5 hydrogen bond donors, and 17 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-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 157119619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).