2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide

C19H21N3O2 — CID 164641938

IUPAC2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)cc(C)n1
InChIInChI=1S/C19H21N3O2/c1-12-10-15(11-13(2)20-12)19(24)21-16-5-7-17(8-6-16)22-14(3)4-9-18(22)23/h5-8,10-11,14H,4,9H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyJHGZDDAHFWRWDE-AWEZNQCLSA-N
MW323.40 g/mol
LogP3.47
Rot. Bonds3

About 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide

2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 164641938) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID164641938
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)cc(C)n1
InChIInChI=1S/C19H21N3O2/c1-12-10-15(11-13(2)20-12)19(24)21-16-5-7-17(8-6-16)22-14(3)4-9-18(22)23/h5-8,10-11,14H,4,9H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyJHGZDDAHFWRWDE-AWEZNQCLSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
CID 131888969
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 131948204
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 131892415
1-methyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131928452
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131908287
3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide
CID 169413011
6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
CID 131889668
3-(2-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
CID 74236971
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125382

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide (CID 164641938) is 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is JHGZDDAHFWRWDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-10-15(11-13(2)20-12)19(24)21-16-5-7-17(8-6-16)22-14(3)4-9-18(22)23/h5-8,10-11,14H,4,9H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide?
2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 164641938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).