6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide

C14H13BrClN3O — CID 62160440

IUPAC6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-19(8-9-4-2-3-5-10(9)15)14(20)13-11(16)6-7-12(17)18-13/h2-7H,8H2,1H3,(H2,17,18)
InChIKeyIHKYOSAHEPOTEK-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.35
Rot. Bonds3

About 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide

6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide (PubChem CID 62160440) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
PubChem CID62160440
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-19(8-9-4-2-3-5-10(9)15)14(20)13-11(16)6-7-12(17)18-13/h2-7H,8H2,1H3,(H2,17,18)
InChIKeyIHKYOSAHEPOTEK-UHFFFAOYSA-N
XLogP3.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62160447
N-[(2-bromophenyl)methyl]-3-chloro-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62247706
6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62240529
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine
CID 62891171
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
3-chloro-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62241888
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide (CID 62160440) is 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide is CN(Cc1ccccc1Br)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide?
The InChIKey is IHKYOSAHEPOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-19(8-9-4-2-3-5-10(9)15)14(20)13-11(16)6-7-12(17)18-13/h2-7H,8H2,1H3,(H2,17,18).
What are the key properties of 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide?
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62160440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).