N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C21H26N4O3 — CID 172664109

IUPACN-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)c1c(C)ccn(C2CCNCC2)c1=O
InChIInChI=1S/C21H26N4O3/c1-13-4-5-17(23-15(3)26)18(12-13)24-20(27)19-14(2)8-11-25(21(19)28)16-6-9-22-10-7-16/h4-5,8,11-12,16,22H,6-7,9-10H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHJCBIKDMWZIKST-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.60
Rot. Bonds4

About N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172664109) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
PubChem CID172664109
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)c1c(C)ccn(C2CCNCC2)c1=O
InChIInChI=1S/C21H26N4O3/c1-13-4-5-17(23-15(3)26)18(12-13)24-20(27)19-14(2)8-11-25(21(19)28)16-6-9-22-10-7-16/h4-5,8,11-12,16,22H,6-7,9-10H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHJCBIKDMWZIKST-UHFFFAOYSA-N
XLogP2.60
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172673603
4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172911814
N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912666
4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172666990
N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664179
4-methyl-2-oxo-1-piperidin-4-yl-N-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 172663685
4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912636
N-(1-ethylbenzimidazol-2-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 175643277
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 172672451
4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910810
4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172668009
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172669654

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172664109) is N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is CC(=O)Nc1ccc(C)cc1NC(=O)c1c(C)ccn(C2CCNCC2)c1=O.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is HJCBIKDMWZIKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-4-5-17(23-15(3)26)18(12-13)24-20(27)19-14(2)8-11-25(21(19)28)16-6-9-22-10-7-16/h4-5,8,11-12,16,22H,6-7,9-10H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172664109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).