N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C17H22N6O — CID 154798530

IUPACN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN2Cc2ccccn2)n1C1CC1
InChIInChI=1S/C17H22N6O/c1-12-20-21-17(23(12)14-7-8-14)19-16(24)15-6-4-10-22(15)11-13-5-2-3-9-18-13/h2-3,5,9,14-15H,4,6-8,10-11H2,1H3,(H,19,21,24)
InChIKeyDHJQFKSXHIKXLP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.92
Rot. Bonds5

About N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 154798530) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID154798530
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN2Cc2ccccn2)n1C1CC1
InChIInChI=1S/C17H22N6O/c1-12-20-21-17(23(12)14-7-8-14)19-16(24)15-6-4-10-22(15)11-13-5-2-3-9-18-13/h2-3,5,9,14-15H,4,6-8,10-11H2,1H3,(H,19,21,24)
InChIKeyDHJQFKSXHIKXLP-UHFFFAOYSA-N
XLogP1.92
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)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

(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide
CID 172896052
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 67813933
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide
CID 146124324
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 154798530) is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1nnc(NC(=O)C2CCCN2Cc2ccccn2)n1C1CC1.
What is the InChIKey of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is DHJQFKSXHIKXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-20-21-17(23(12)14-7-8-14)19-16(24)15-6-4-10-22(15)11-13-5-2-3-9-18-13/h2-3,5,9,14-15H,4,6-8,10-11H2,1H3,(H,19,21,24).
What are the key properties of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154798530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).