(2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

C15H26N6O2 — CID 56712691

IUPAC(2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2C[C@H](NC(=O)C(C)(C)C)CN2C)n[nH]1
InChIInChI=1S/C15H26N6O2/c1-9-17-12(20-19-9)7-16-13(22)11-6-10(8-21(11)5)18-14(23)15(2,3)4/h10-11H,6-8H2,1-5H3,(H,16,22)(H,18,23)(H,17,19,20)/t10-,11-/m0/s1
InChIKeyZJPBYIFWCKCWGH-QWRGUYRKSA-N
MW322.41 g/mol
LogP-0.04
Rot. Bonds4

About (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56712691) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID56712691
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name(2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2C[C@H](NC(=O)C(C)(C)C)CN2C)n[nH]1
InChIInChI=1S/C15H26N6O2/c1-9-17-12(20-19-9)7-16-13(22)11-6-10(8-21(11)5)18-14(23)15(2,3)4/h10-11H,6-8H2,1-5H3,(H,16,22)(H,18,23)(H,17,19,20)/t10-,11-/m0/s1
InChIKeyZJPBYIFWCKCWGH-QWRGUYRKSA-N
XLogP-0.04
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)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

2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
2-(3-butyl-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 70777185
3-tert-butyl-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740607
(4S)-4-(acetylamino)-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)butanamide
CID 50967257
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
CID 99951540
(2S)-2-acetamido-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanamide
CID 125518704
3-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-1-propan-2-ylimidazolidine-2,4-dione
CID 128840997
(3S)-1-tert-butyl-3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]pyrrolidin-2-one
CID 164638207
N-({(2S,4S)-1-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)propanamide
CID 70764137
(4,4-difluoropyrrolidin-2-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120954942
(4,4-difluoropyrrolidin-2-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 120954943
(2S,4R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 120963209

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 56712691) is (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is Cc1nc(CNC(=O)[C@@H]2C[C@H](NC(=O)C(C)(C)C)CN2C)n[nH]1.
What is the InChIKey of (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZJPBYIFWCKCWGH-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-9-17-12(20-19-9)7-16-13(22)11-6-10(8-21(11)5)18-14(23)15(2,3)4/h10-11H,6-8H2,1-5H3,(H,16,22)(H,18,23)(H,17,19,20)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(2,2-dimethylpropanoylamino)-1-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56712691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).