N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide

C11H8N4O — CID 115273471

IUPACN-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc[nH]c2)nc1
InChIInChI=1S/C11H8N4O/c12-5-8-1-2-10(14-6-8)15-11(16)9-3-4-13-7-9/h1-4,6-7,13H,(H,14,15,16)
InChIKeyODMOTJJPNQEUOE-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.53
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide

N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide (PubChem CID 115273471) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
PubChem CID115273471
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC NameN-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc[nH]c2)nc1
InChIInChI=1S/C11H8N4O/c12-5-8-1-2-10(14-6-8)15-11(16)9-3-4-13-7-9/h1-4,6-7,13H,(H,14,15,16)
InChIKeyODMOTJJPNQEUOE-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-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 78931923
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide (CID 115273471) is N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide is N#Cc1ccc(NC(=O)c2cc[nH]c2)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide?
The InChIKey is ODMOTJJPNQEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-5-8-1-2-10(14-6-8)15-11(16)9-3-4-13-7-9/h1-4,6-7,13H,(H,14,15,16).
What are the key properties of N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide?
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-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-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 115273471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).