N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide

C11H8N4O — CID 143301131

IUPACN-cyano-1-pyridin-4-ylpyrrole-3-carboxamide
SMILESN#CNC(=O)c1ccn(-c2ccncc2)c1
InChIInChI=1S/C11H8N4O/c12-8-14-11(16)9-3-6-15(7-9)10-1-4-13-5-2-10/h1-7H,(H,14,16)
InChIKeySGQFRKIDWPQJIL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.08
Rot. Bonds2

About N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide

N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide (PubChem CID 143301131) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyano-1-pyridin-4-ylpyrrole-3-carboxamide
PubChem CID143301131
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC NameN-cyano-1-pyridin-4-ylpyrrole-3-carboxamide
SMILESN#CNC(=O)c1ccn(-c2ccncc2)c1
InChIInChI=1S/C11H8N4O/c12-8-14-11(16)9-3-6-15(7-9)10-1-4-13-5-2-10/h1-7H,(H,14,16)
InChIKeySGQFRKIDWPQJIL-UHFFFAOYSA-N
XLogP1.08
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-4-ylpyrrole-3-carboxylic acid
CID 143301463
4-amino-N-cyanobenzamide
CID 12713849
N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane
CID 142010470
4-(2-aminoethyl)-N-cyanobenzamide
CID 79194320
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1-phenylpyrrole-3-carboxamide
CID 155754554
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
4-(aminomethyl)-N-cyanobenzamide
CID 79195247
N-cyano-3,4-difluorobenzamide
CID 79195155
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide
CID 145494250

Frequently Asked Questions

What is the IUPAC name of N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide?
The IUPAC name of N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide (CID 143301131) is N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide is N#CNC(=O)c1ccn(-c2ccncc2)c1.
What is the InChIKey of N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide?
The InChIKey is SGQFRKIDWPQJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-8-14-11(16)9-3-6-15(7-9)10-1-4-13-5-2-10/h1-7H,(H,14,16).
What are the key properties of N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide?
N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 143301131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).