3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide

C16H15N3O — CID 42748352

IUPAC3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide
SMILESCc1cccc(-n2ccc(C#N)c2C(=O)NC2CC2)c1
InChIInChI=1S/C16H15N3O/c1-11-3-2-4-14(9-11)19-8-7-12(10-17)15(19)16(20)18-13-5-6-13/h2-4,7-9,13H,5-6H2,1H3,(H,18,20)
InChIKeyUBIJNLLIMNNABX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.55
Rot. Bonds3

About 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide

3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide (PubChem CID 42748352) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide
PubChem CID42748352
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide
SMILESCc1cccc(-n2ccc(C#N)c2C(=O)NC2CC2)c1
InChIInChI=1S/C16H15N3O/c1-11-3-2-4-14(9-11)19-8-7-12(10-17)15(19)16(20)18-13-5-6-13/h2-4,7-9,13H,5-6H2,1H3,(H,18,20)
InChIKeyUBIJNLLIMNNABX-UHFFFAOYSA-N
XLogP2.55
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-hexyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748353
3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748349
1-(3-bromophenyl)-3-cyano-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 5104581
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 24715175
N-benzyl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide
CID 809837
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide (CID 42748352) is 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide is Cc1cccc(-n2ccc(C#N)c2C(=O)NC2CC2)c1.
What is the InChIKey of 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is UBIJNLLIMNNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-2-4-14(9-11)19-8-7-12(10-17)15(19)16(20)18-13-5-6-13/h2-4,7-9,13H,5-6H2,1H3,(H,18,20).
What are the key properties of 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide?
3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42748352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).