3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid — IUPAC name, SMILES, InChIKey & properties

Name: 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid (PubChem CID 159300262) has the molecular formula C62H84N14O7 and a molecular weight of 1137.44 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name	3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid
PubChem CID	159300262
Molecular Formula	C62H84N14O7
Molecular Weight	1137.44 g/mol
Exact Mass	1136.66
IUPAC Name	3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid
SMILES	COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncn3C)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCC(N(C)C)CC1
InChI	InChI=1S/C31H41N7O3.C23H31N5O2.C8H12N2O2/c1-19-12-28(41-7)26(31(40)34-19)15-33-30(39)25-14-24-13-22(27-16-32-18-36(27)6)17-38(24)29(20(25)2)21(3)37-10-8-23(9-11-37)35(4)5;1-15-20(23(29)30)11-19-10-17(21-12-24-14-26(21)5)13-28(19)22(15)16(2)27-8-6-18(7-9-27)25(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5/h12-14,16-18,21,23H,8-11,15H2,1-7H3,(H,33,39)(H,34,40);10-14,16,18H,6-9H2,1-5H3,(H,29,30);3H,4,9H2,1-2H3,(H,10,11)
InChIKey	LBFXUSWVZWTROM-UHFFFAOYSA-N
XLogP	7.25
TPSA	234.02 Å²
H-Bond Donors	5
H-Bond Acceptors	17
Rotatable Bonds	15
Heavy Atoms	83
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.44
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid?

The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid (CID 159300262) is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid.

What is the SMILES notation for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid?

The canonical SMILES for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid is COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncn3C)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCC(N(C)C)CC1.

What is the InChIKey of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid?

The InChIKey is LBFXUSWVZWTROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O3.C23H31N5O2.C8H12N2O2/c1-19-12-28(41-7)26(31(40)34-19)15-33-30(39)25-14-24-13-22(27-16-32-18-36(27)6)17-38(24)29(20(25)2)21(3)37-10-8-23(9-11-37)35(4)5;1-15-20(23(29)30)11-19-10-17(21-12-24-14-26(21)5)13-28(19)22(15)16(2)27-8-6-18(7-9-27)25(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5/h12-14,16-18,21,23H,8-11,15H2,1-7H3,(H,33,39)(H,34,40);10-14,16,18H,6-9H2,1-5H3,(H,29,30);3H,4,9H2,1-2H3,(H,10,11).

What are the key properties of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid?

Where does this data come from?

All data for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 159300262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).