6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide

C13H11BrClN3O — CID 62156376

IUPAC6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
SMILESNc1ccc(Cl)c(C(=O)NCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrClN3O/c14-9-3-1-8(2-4-9)7-17-13(19)12-10(15)5-6-11(16)18-12/h1-6H,7H2,(H2,16,18)(H,17,19)
InChIKeyRTFWUEJXYYIMSD-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.01
Rot. Bonds3

About 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide

6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide (PubChem CID 62156376) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
PubChem CID62156376
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
SMILESNc1ccc(Cl)c(C(=O)NCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrClN3O/c14-9-3-1-8(2-4-9)7-17-13(19)12-10(15)5-6-11(16)18-12/h1-6H,7H2,(H2,16,18)(H,17,19)
InChIKeyRTFWUEJXYYIMSD-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
CID 64694581
4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
CID 55041650
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide (CID 62156376) is 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide is Nc1ccc(Cl)c(C(=O)NCc2ccc(Br)cc2)n1.
What is the InChIKey of 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide?
The InChIKey is RTFWUEJXYYIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-9-3-1-8(2-4-9)7-17-13(19)12-10(15)5-6-11(16)18-12/h1-6H,7H2,(H2,16,18)(H,17,19).
What are the key properties of 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide?
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 62156376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).