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

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

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

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride (PubChem CID 157338670) has the molecular formula C54H75Cl3N10O7 and a molecular weight of 1082.62 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name	3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
PubChem CID	157338670
Molecular Formula	C54H75Cl3N10O7
Molecular Weight	1082.62 g/mol
Exact Mass	1080.49
IUPAC Name	3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
SMILES	COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(Cl)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1c(C(=O)O)cc2cc(Cl)cn2c1C(C)N1CCC(N(C)C)CC1.Cl
InChI	InChI=1S/C27H36ClN5O3.C19H26ClN3O2.C8H12N2O2.ClH/c1-16-11-24(36-6)23(27(35)30-16)14-29-26(34)22-13-21-12-19(28)15-33(21)25(17(22)2)18(3)32-9-7-20(8-10-32)31(4)5;1-12-17(19(24)25)10-16-9-14(20)11-23(16)18(12)13(2)22-7-5-15(6-8-22)21(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h11-13,15,18,20H,7-10,14H2,1-6H3,(H,29,34)(H,30,35);9-11,13,15H,5-8H2,1-4H3,(H,24,25);3H,4,9H2,1-2H3,(H,10,11);1H
InChIKey	TUGKFDLNFGLRPX-UHFFFAOYSA-N
XLogP	8.18
TPSA	198.38 Å²
H-Bond Donors	5
H-Bond Acceptors	13
Rotatable Bonds	13
Heavy Atoms	74
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.62
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride (CID 157338670) is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride.

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

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

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

The InChIKey is TUGKFDLNFGLRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN5O3.C19H26ClN3O2.C8H12N2O2.ClH/c1-16-11-24(36-6)23(27(35)30-16)14-29-26(34)22-13-21-12-19(28)15-33(21)25(17(22)2)18(3)32-9-7-20(8-10-32)31(4)5;1-12-17(19(24)25)10-16-9-14(20)11-23(16)18(12)13(2)22-7-5-15(6-8-22)21(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h11-13,15,18,20H,7-10,14H2,1-6H3,(H,29,34)(H,30,35);9-11,13,15H,5-8H2,1-4H3,(H,24,25);3H,4,9H2,1-2H3,(H,10,11);1H.

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

Where does this data come from?

All data for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 157338670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).