N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide

C14H11BrN4O — CID 82704103

IUPACN-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C14H11BrN4O/c1-17-13-11(3-2-6-18-13)14(20)19-12-5-4-10(15)7-9(12)8-16/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWHLRRROOIRZTHT-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.01
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide

N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 82704103) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID82704103
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C14H11BrN4O/c1-17-13-11(3-2-6-18-13)14(20)19-12-5-4-10(15)7-9(12)8-16/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWHLRRROOIRZTHT-UHFFFAOYSA-N
XLogP3.01
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107793732
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
2-(5-bromo-2-cyanoanilino)pyridine-3-carboxylic acid
CID 107799260
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide (CID 82704103) is N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is WHLRRROOIRZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-17-13-11(3-2-6-18-13)14(20)19-12-5-4-10(15)7-9(12)8-16/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82704103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).