(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide

C17H22N6O2 — CID 56705563

IUPAC(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(CN3CCC[C@H]3C(N)=O)c2)n(C)n1
InChIInChI=1S/C17H22N6O2/c1-11-19-17(22(2)21-11)20-16(25)13-6-3-5-12(9-13)10-23-8-4-7-14(23)15(18)24/h3,5-6,9,14H,4,7-8,10H2,1-2H3,(H2,18,24)(H,19,20,21,25)/t14-/m0/s1
InChIKeyRXJCQARYVQXQJD-AWEZNQCLSA-N
MW342.40 g/mol
LogP0.83
Rot. Bonds5

About (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56705563) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56705563
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(CN3CCC[C@H]3C(N)=O)c2)n(C)n1
InChIInChI=1S/C17H22N6O2/c1-11-19-17(22(2)21-11)20-16(25)13-6-3-5-12(9-13)10-23-8-4-7-14(23)15(18)24/h3,5-6,9,14H,4,7-8,10H2,1-2H3,(H2,18,24)(H,19,20,21,25)/t14-/m0/s1
InChIKeyRXJCQARYVQXQJD-AWEZNQCLSA-N
XLogP0.83
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984987
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95197391
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 60560463

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 56705563) is (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide is Cc1nc(NC(=O)c2cccc(CN3CCC[C@H]3C(N)=O)c2)n(C)n1.
What is the InChIKey of (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RXJCQARYVQXQJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-19-17(22(2)21-11)20-16(25)13-6-3-5-12(9-13)10-23-8-4-7-14(23)15(18)24/h3,5-6,9,14H,4,7-8,10H2,1-2H3,(H2,18,24)(H,19,20,21,25)/t14-/m0/s1.
What are the key properties of (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-[(2,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56705563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).