2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H21N5O2 — CID 131906571

IUPAC2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H21N5O2/c1-13(10-21-12-18-11-20-21)17(24)19-9-14-4-6-15(7-5-14)22-8-2-3-16(22)23/h4-7,11-13H,2-3,8-10H2,1H3,(H,19,24)
InChIKeyJCMQYDXJLHGXFV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.36
Rot. Bonds6

About 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 131906571) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID131906571
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H21N5O2/c1-13(10-21-12-18-11-20-21)17(24)19-9-14-4-6-15(7-5-14)22-8-2-3-16(22)23/h4-7,11-13H,2-3,8-10H2,1H3,(H,19,24)
InChIKeyJCMQYDXJLHGXFV-UHFFFAOYSA-N
XLogP1.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111413298
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131907809
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51239198
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 8589123
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 131906571) is 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(Cn1cncn1)C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JCMQYDXJLHGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(10-21-12-18-11-20-21)17(24)19-9-14-4-6-15(7-5-14)22-8-2-3-16(22)23/h4-7,11-13H,2-3,8-10H2,1H3,(H,19,24).
What are the key properties of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 327.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 131906571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).