N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide

C14H13BrClN3O2 — CID 82859108

IUPACN-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C14H13BrClN3O2/c1-17-12-4-3-11(16)13(19-12)14(20)18-9-5-8(15)6-10(7-9)21-2/h3-7H,1-2H3,(H,17,19)(H,18,20)
InChIKeyWANYLBDYHRXFDY-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.80
Rot. Bonds4

About N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide

N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide (PubChem CID 82859108) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
PubChem CID82859108
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC NameN-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C14H13BrClN3O2/c1-17-12-4-3-11(16)13(19-12)14(20)18-9-5-8(15)6-10(7-9)21-2/h3-7H,1-2H3,(H,17,19)(H,18,20)
InChIKeyWANYLBDYHRXFDY-UHFFFAOYSA-N
XLogP3.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62173294
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
N-(5-bromo-2-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62177125
3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62169174
3-chloro-6-(methylamino)-N-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107586618
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
3-chloro-N-(4-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62167458
5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82860306
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
N-(3,5-dimethoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62173292

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide (CID 82859108) is N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)Nc2cc(Br)cc(OC)c2)n1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is WANYLBDYHRXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-17-12-4-3-11(16)13(19-12)14(20)18-9-5-8(15)6-10(7-9)21-2/h3-7H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 370.63 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 82859108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).