N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide

C20H19N5O2 — CID 131908287

IUPACN-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC1CCC(=O)N1c1ccc(NC(=O)c2ccccc2-n2cncn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14-6-11-19(26)25(14)16-9-7-15(8-10-16)23-20(27)17-4-2-3-5-18(17)24-13-21-12-22-24/h2-5,7-10,12-14H,6,11H2,1H3,(H,23,27)
InChIKeyYRSMTTSAOJZNAJ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.03
Rot. Bonds4

About N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide

N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 131908287) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID131908287
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC1CCC(=O)N1c1ccc(NC(=O)c2ccccc2-n2cncn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14-6-11-19(26)25(14)16-9-7-15(8-10-16)23-20(27)17-4-2-3-5-18(17)24-13-21-12-22-24/h2-5,7-10,12-14H,6,11H2,1H3,(H,23,27)
InChIKeyYRSMTTSAOJZNAJ-UHFFFAOYSA-N
XLogP3.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
CID 164641938
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 131948204
1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
CID 131888969
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131899092
(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 162635585
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 131892415
[3-(4-methoxyanilino)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 56910760
3-(2-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 56759826
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134703354
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 131908287) is N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide is CC1CCC(=O)N1c1ccc(NC(=O)c2ccccc2-n2cncn2)cc1.
What is the InChIKey of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is YRSMTTSAOJZNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-6-11-19(26)25(14)16-9-7-15(8-10-16)23-20(27)17-4-2-3-5-18(17)24-13-21-12-22-24/h2-5,7-10,12-14H,6,11H2,1H3,(H,23,27).
What are the key properties of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 361.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 131908287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).