N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide

C15H13BrN4O — CID 107801225

IUPACN-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)Nc2cc(Br)ccc2C#N)n1
InChIInChI=1S/C15H13BrN4O/c1-2-18-14-5-3-4-12(19-14)15(21)20-13-8-11(16)7-6-10(13)9-17/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyZINRNUJIYBCDCX-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.40
Rot. Bonds4

About N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide

N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 107801225) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
PubChem CID107801225
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)Nc2cc(Br)ccc2C#N)n1
InChIInChI=1S/C15H13BrN4O/c1-2-18-14-5-3-4-12(19-14)15(21)20-13-8-11(16)7-6-10(13)9-17/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyZINRNUJIYBCDCX-UHFFFAOYSA-N
XLogP3.40
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 107801255
N-(2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239776
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 82758471
6-(ethylamino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 62240641
N-(2,5-dimethylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239617
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
6-(ethylamino)-N-(2-propylphenyl)pyridine-2-carboxamide
CID 62238666

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide (CID 107801225) is N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide is CCNc1cccc(C(=O)Nc2cc(Br)ccc2C#N)n1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is ZINRNUJIYBCDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-2-18-14-5-3-4-12(19-14)15(21)20-13-8-11(16)7-6-10(13)9-17/h3-8H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide?
N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107801225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).