2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C15H14BrN3O — CID 103752593

IUPAC2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Br)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C15H14BrN3O/c16-14-13(2-1-7-18-14)15(20)19(12-3-4-12)10-11-5-8-17-9-6-11/h1-2,5-9,12H,3-4,10H2
InChIKeyDUPGCURHHDALHX-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 103752593) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID103752593
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Br)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C15H14BrN3O/c16-14-13(2-1-7-18-14)15(20)19(12-3-4-12)10-11-5-8-17-9-6-11/h1-2,5-9,12H,3-4,10H2
InChIKeyDUPGCURHHDALHX-UHFFFAOYSA-N
XLogP3.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-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

N,N-Diethylnicotinamide
CID 5497
(5-Bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46931242
N,N-Dimethylnicotinamide
CID 81444
Dipyridodiazepinone deriv. 18
CID 463145
N,N-Dipropylnicotinamide
CID 139084
2-Bromo-N-(2-morpholinoethyl)nicotinamide
CID 46233338
N-Benzyl-N-ethyl-nicotinamide
CID 668903
N-benzyl-5-bromonicotinamide
CID 835760
5-bromo-N-(pyridin-4-yl)nicotinamide
CID 2227730
N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide
CID 2594859
5-bromo-N-(1-phenylpropyl)nicotinamide
CID 604231
N-benzyl-N-methylnicotinamide
CID 762741

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 103752593) is 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(c1cccnc1Br)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DUPGCURHHDALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-14-13(2-1-7-18-14)15(20)19(12-3-4-12)10-11-5-8-17-9-6-11/h1-2,5-9,12H,3-4,10H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103752593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).