6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide

C18H13BrClN3O — CID 66877640

IUPAC6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CBr)nc1
InChIInChI=1S/C18H13BrClN3O/c19-10-14-5-4-12(11-22-14)18(24)23-13-6-7-16(20)15(9-13)17-3-1-2-8-21-17/h1-9,11H,10H2,(H,23,24)
InChIKeyQQUCVNSMHSTABD-UHFFFAOYSA-N
MW402.68 g/mol
LogP4.94
Rot. Bonds4

About 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide

6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 66877640) has the molecular formula C18H13BrClN3O and a molecular weight of 402.68 g/mol. Its IUPAC name is 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID66877640
Molecular FormulaC18H13BrClN3O
Molecular Weight402.68 g/mol
Exact Mass400.99
IUPAC Name6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CBr)nc1
InChIInChI=1S/C18H13BrClN3O/c19-10-14-5-4-12(11-22-14)18(24)23-13-6-7-16(20)15(9-13)17-3-1-2-8-21-17/h1-9,11H,10H2,(H,23,24)
InChIKeyQQUCVNSMHSTABD-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)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

4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 158716830
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-4-iodo-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170125191
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide (CID 66877640) is 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CBr)nc1.
What is the InChIKey of 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is QQUCVNSMHSTABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O/c19-10-14-5-4-12(11-22-14)18(24)23-13-6-7-16(20)15(9-13)17-3-1-2-8-21-17/h1-9,11H,10H2,(H,23,24).
What are the key properties of 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 402.68 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66877640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).