N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C22H28N2O3 — CID 124882650

IUPACN-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)N(CCO)[C@H]3CCC[C@H]3C)c2=O)c1
InChIInChI=1S/C22H28N2O3/c1-16-6-3-8-18(14-16)15-23-11-5-9-19(21(23)26)22(27)24(12-13-25)20-10-4-7-17(20)2/h3,5-6,8-9,11,14,17,20,25H,4,7,10,12-13,15H2,1-2H3/t17-,20+/m1/s1
InChIKeyGKXIFWDVDOHEDJ-XLIONFOSSA-N
MW368.48 g/mol
LogP2.83
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 124882650) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID124882650
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)N(CCO)[C@H]3CCC[C@H]3C)c2=O)c1
InChIInChI=1S/C22H28N2O3/c1-16-6-3-8-18(14-16)15-23-11-5-9-19(21(23)26)22(27)24(12-13-25)20-10-4-7-17(20)2/h3,5-6,8-9,11,14,17,20,25H,4,7,10,12-13,15H2,1-2H3/t17-,20+/m1/s1
InChIKeyGKXIFWDVDOHEDJ-XLIONFOSSA-N
XLogP2.83
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907214
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 52539461
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 52539460
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 98845887
4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 86804608
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256185
N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598795
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 124882650) is N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)N(CCO)[C@H]3CCC[C@H]3C)c2=O)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is GKXIFWDVDOHEDJ-XLIONFOSSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-6-3-8-18(14-16)15-23-11-5-9-19(21(23)26)22(27)24(12-13-25)20-10-4-7-17(20)2/h3,5-6,8-9,11,14,17,20,25H,4,7,10,12-13,15H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 124882650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).