N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide

C11H8N4O — CID 110470804

IUPACN-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1cccnc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H8N4O/c12-7-8-3-1-6-14-10(8)15-11(16)9-4-2-5-13-9/h1-6,13H,(H,14,15,16)
InChIKeyQIMIRSAYZSBIQP-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.53
Rot. Bonds2

About N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide

N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 110470804) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID110470804
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC NameN-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1cccnc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H8N4O/c12-7-8-3-1-6-14-10(8)15-11(16)9-4-2-5-13-9/h1-6,13H,(H,14,15,16)
InChIKeyQIMIRSAYZSBIQP-UHFFFAOYSA-N
XLogP1.53
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110461050
2-amino-N-(3-cyano-2-pyridinyl)benzamide
CID 110474340
N-(3-cyano-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110471770
ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
CID 110445359
N-pyridin-2-yl-1H-pyrrole-2-carboxamide
CID 110691027
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide (CID 110470804) is N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide is N#Cc1cccnc1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QIMIRSAYZSBIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-7-8-3-1-6-14-10(8)15-11(16)9-4-2-5-13-9/h1-6,13H,(H,14,15,16).
What are the key properties of N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide?
N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 212.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110470804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).