N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

C12H10N6O2 — CID 86631239

IUPACN-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESN#CCNC(=O)c1[nH]ncc1NC(=O)c1ccccn1
InChIInChI=1S/C12H10N6O2/c13-4-6-15-12(20)10-9(7-16-18-10)17-11(19)8-3-1-2-5-14-8/h1-3,5,7H,6H2,(H,15,20)(H,16,18)(H,17,19)
InChIKeyYCHUELSJMJZZOZ-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.31
Rot. Bonds4

About N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 86631239) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID86631239
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC NameN-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESN#CCNC(=O)c1[nH]ncc1NC(=O)c1ccccn1
InChIInChI=1S/C12H10N6O2/c13-4-6-15-12(20)10-9(7-16-18-10)17-11(19)8-3-1-2-5-14-8/h1-3,5,7H,6H2,(H,15,20)(H,16,18)(H,17,19)
InChIKeyYCHUELSJMJZZOZ-UHFFFAOYSA-N
XLogP0.31
TPSA123.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379725
N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115630183
N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68990628
N-[5-(propan-2-ylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379543
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
CID 166201187
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (CID 86631239) is N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is N#CCNC(=O)c1[nH]ncc1NC(=O)c1ccccn1.
What is the InChIKey of N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is YCHUELSJMJZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c13-4-6-15-12(20)10-9(7-16-18-10)17-11(19)8-3-1-2-5-14-8/h1-3,5,7H,6H2,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86631239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).