N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide

C16H13N3O — CID 110461109

IUPACN-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)cc1)c1ccc[nH]1
InChIInChI=1S/C16H13N3O/c20-16(15-5-3-11-18-15)19-13-8-6-12(7-9-13)14-4-1-2-10-17-14/h1-11,18H,(H,19,20)
InChIKeyOQFVYJLQYWUBPL-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.33
Rot. Bonds3

About N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide

N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 110461109) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID110461109
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)cc1)c1ccc[nH]1
InChIInChI=1S/C16H13N3O/c20-16(15-5-3-11-18-15)19-13-8-6-12(7-9-13)14-4-1-2-10-17-14/h1-11,18H,(H,19,20)
InChIKeyOQFVYJLQYWUBPL-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-pyridin-2-ylphenyl)-1H-imidazole-2-carboxamide
CID 110466598
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
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N-pyridin-2-yl-1H-pyrrole-2-carboxamide
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N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
N-(4-pyridin-2-ylphenyl)pyrazine-2-carboxamide
CID 110461757
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
2-methyl-N-(4-pyridin-2-ylphenyl)propanamide
CID 110459868
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
N-(3-hydroxy-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110461050
N-[4-(aminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480991
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
2-methoxy-N-(4-pyridin-2-ylphenyl)acetamide
CID 110460506

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide (CID 110461109) is N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(-c2ccccn2)cc1)c1ccc[nH]1.
What is the InChIKey of N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is OQFVYJLQYWUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(15-5-3-11-18-15)19-13-8-6-12(7-9-13)14-4-1-2-10-17-14/h1-11,18H,(H,19,20).
What are the key properties of N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide?
N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-ylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110461109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).