(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

C12H14N6O — CID 61169536

IUPAC(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)[C@@H]1CCCN1
InChIInChI=1S/C12H14N6O/c19-12(10-4-2-5-14-10)17-9-3-1-6-15-11(9)18-8-13-7-16-18/h1,3,6-8,10,14H,2,4-5H2,(H,17,19)/t10-/m0/s1
InChIKeyRXGUNUOMJUOMEJ-JTQLQIEISA-N
MW258.28 g/mol
LogP0.35
Rot. Bonds3

About (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 61169536) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID61169536
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)[C@@H]1CCCN1
InChIInChI=1S/C12H14N6O/c19-12(10-4-2-5-14-10)17-9-3-1-6-15-11(9)18-8-13-7-16-18/h1,3,6-8,10,14H,2,4-5H2,(H,17,19)/t10-/m0/s1
InChIKeyRXGUNUOMJUOMEJ-JTQLQIEISA-N
XLogP0.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]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)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 114423652
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 79388465
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913077
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250
3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-2-carboxamide
CID 107067527
N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43706722
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 61169536) is (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1cccnc1-n1cncn1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is RXGUNUOMJUOMEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N6O/c19-12(10-4-2-5-14-10)17-9-3-1-6-15-11(9)18-8-13-7-16-18/h1,3,6-8,10,14H,2,4-5H2,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).