4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide

C12H9ClN4O — CID 43643375

IUPAC4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1Cl
InChIInChI=1S/C12H9ClN4O/c13-10-4-9(2-1-7(10)5-14)17-12(18)11-3-8(15)6-16-11/h1-4,6,16H,15H2,(H,17,18)
InChIKeyJCSAYTWJHPGFNQ-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.37
Rot. Bonds2

About 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643375) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643375
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1Cl
InChIInChI=1S/C12H9ClN4O/c13-10-4-9(2-1-7(10)5-14)17-12(18)11-3-8(15)6-16-11/h1-4,6,16H,15H2,(H,17,18)
InChIKeyJCSAYTWJHPGFNQ-UHFFFAOYSA-N
XLogP2.37
TPSA94.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
CID 107786819
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
N-(3-chloro-4-cyanophenyl)furan-3-carboxamide
CID 27033866

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide (CID 43643375) is 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JCSAYTWJHPGFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-10-4-9(2-1-7(10)5-14)17-12(18)11-3-8(15)6-16-11/h1-4,6,16H,15H2,(H,17,18).
What are the key properties of 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 260.68 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).