4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C15H15N3O2 — CID 1482640

IUPAC4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C15H15N3O2/c19-14(11-3-4-11)12-6-13(17-9-12)15(20)18-8-10-2-1-5-16-7-10/h1-2,5-7,9,11,17H,3-4,8H2,(H,18,20)
InChIKeyIMJJIGLERUDNGQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.93
Rot. Bonds5

About 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1482640) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1482640
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C15H15N3O2/c19-14(11-3-4-11)12-6-13(17-9-12)15(20)18-8-10-2-1-5-16-7-10/h1-2,5-7,9,11,17H,3-4,8H2,(H,18,20)
InChIKeyIMJJIGLERUDNGQ-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1482640) is 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1cccnc1)c1cc(C(=O)C2CC2)c[nH]1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IMJJIGLERUDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14(11-3-4-11)12-6-13(17-9-12)15(20)18-8-10-2-1-5-16-7-10/h1-2,5-7,9,11,17H,3-4,8H2,(H,18,20).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1482640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).