4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide

C16H19N3O — CID 43642381

IUPAC4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N)cn2C2CC2)cc1
InChIInChI=1S/C16H19N3O/c1-2-11-3-5-13(6-4-11)18-16(20)15-9-12(17)10-19(15)14-7-8-14/h3-6,9-10,14H,2,7-8,17H2,1H3,(H,18,20)
InChIKeyZZKMSNGWVFORFI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.22
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide (PubChem CID 43642381) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
PubChem CID43642381
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N)cn2C2CC2)cc1
InChIInChI=1S/C16H19N3O/c1-2-11-3-5-13(6-4-11)18-16(20)15-9-12(17)10-19(15)14-7-8-14/h3-6,9-10,14H,2,7-8,17H2,1H3,(H,18,20)
InChIKeyZZKMSNGWVFORFI-UHFFFAOYSA-N
XLogP3.22
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide (CID 43642381) is 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide is CCc1ccc(NC(=O)c2cc(N)cn2C2CC2)cc1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide?
The InChIKey is ZZKMSNGWVFORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-11-3-5-13(6-4-11)18-16(20)15-9-12(17)10-19(15)14-7-8-14/h3-6,9-10,14H,2,7-8,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43642381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).