6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide

C13H11BrClN3O — CID 133292879

IUPAC6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H11BrClN3O/c14-10-3-1-8(2-4-10)6-17-13-11(15)5-9(7-18-13)12(16)19/h1-5,7H,6H2,(H2,16,19)(H,17,18)
InChIKeyVZUXTQUHPVLRMI-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.21
Rot. Bonds4

About 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide

6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide (PubChem CID 133292879) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
PubChem CID133292879
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H11BrClN3O/c14-10-3-1-8(2-4-10)6-17-13-11(15)5-9(7-18-13)12(16)19/h1-5,7H,6H2,(H2,16,19)(H,17,18)
InChIKeyVZUXTQUHPVLRMI-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
CID 133477282
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
CID 133292141
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
CID 133277831

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide (CID 133292879) is 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide is NC(=O)c1cnc(NCc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide?
The InChIKey is VZUXTQUHPVLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-10-3-1-8(2-4-10)6-17-13-11(15)5-9(7-18-13)12(16)19/h1-5,7H,6H2,(H2,16,19)(H,17,18).
What are the key properties of 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide?
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133292879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).