4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide

C15H16BrN3O — CID 114700587

IUPAC4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H16BrN3O/c1-10-7-17-5-4-11(10)8-18-15(20)14-6-12(16)9-19(14)13-2-3-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)
InChIKeyBPIJKGYRPXGFBQ-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.22
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide (PubChem CID 114700587) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide
PubChem CID114700587
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H16BrN3O/c1-10-7-17-5-4-11(10)8-18-15(20)14-6-12(16)9-19(14)13-2-3-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)
InChIKeyBPIJKGYRPXGFBQ-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]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

Related Compounds

4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 63327596
4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62989655
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 43640775
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 114698174
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 103007204
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
4-bromo-1-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 80683115

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide (CID 114700587) is 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide is Cc1cnccc1CNC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide?
The InChIKey is BPIJKGYRPXGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-7-17-5-4-11(10)8-18-15(20)14-6-12(16)9-19(14)13-2-3-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114700587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).