4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide

C15H14N4O — CID 43642256

IUPAC4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C15H14N4O/c16-8-10-3-1-2-4-13(10)18-15(20)14-7-11(17)9-19(14)12-5-6-12/h1-4,7,9,12H,5-6,17H2,(H,18,20)
InChIKeyMNFXDUWOCPONPJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide

4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43642256) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43642256
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C15H14N4O/c16-8-10-3-1-2-4-13(10)18-15(20)14-7-11(17)9-19(14)12-5-6-12/h1-4,7,9,12H,5-6,17H2,(H,18,20)
InChIKeyMNFXDUWOCPONPJ-UHFFFAOYSA-N
XLogP2.53
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide
CID 61112442
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
CID 107699264
(2-cyanophenyl)urea
CID 13155570
4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide
CID 114386710
4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
CID 55214904
4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43643716
4-amino-N-(4-bromo-2-cyanophenyl)-1-methylpyrrole-2-carboxamide
CID 82702967
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 146271679

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide (CID 43642256) is 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide is N#Cc1ccccc1NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is MNFXDUWOCPONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-10-3-1-2-4-13(10)18-15(20)14-7-11(17)9-19(14)12-5-6-12/h1-4,7,9,12H,5-6,17H2,(H,18,20).
What are the key properties of 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide?
4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43642256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).