2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide

C21H22N4O3 — CID 118695977

IUPAC2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CO)ncc3N3CCCC3)cc12
InChIInChI=1S/C21H22N4O3/c1-13-8-20(27)24-18-5-4-14(9-16(13)18)23-21(28)17-10-15(12-26)22-11-19(17)25-6-2-3-7-25/h4-5,8-11,26H,2-3,6-7,12H2,1H3,(H,23,28)(H,24,27)
InChIKeyDKJMHGQTNSECMB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.58
Rot. Bonds4

About 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide

2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 118695977) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID118695977
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CO)ncc3N3CCCC3)cc12
InChIInChI=1S/C21H22N4O3/c1-13-8-20(27)24-18-5-4-14(9-16(13)18)23-21(28)17-10-15(12-26)22-11-19(17)25-6-2-3-7-25/h4-5,8-11,26H,2-3,6-7,12H2,1H3,(H,23,28)(H,24,27)
InChIKeyDKJMHGQTNSECMB-UHFFFAOYSA-N
XLogP2.58
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide
CID 162011393
5-[[2-hydroxyethyl(methyl)amino]methyl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylbenzamide
CID 118695250
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
CID 157255920
5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 140820718
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
CID 118695105
5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118694872
2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 118695126
5-(dimethylsulfamoyl)-2-(3-hydroxypyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118695136
5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide
CID 118695149
2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 118695003
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide (CID 118695977) is 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CO)ncc3N3CCCC3)cc12.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is DKJMHGQTNSECMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-8-20(27)24-18-5-4-14(9-16(13)18)23-21(28)17-10-15(12-26)22-11-19(17)25-6-2-3-7-25/h4-5,8-11,26H,2-3,6-7,12H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?
2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 118695977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).