N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide

C19H13BrN4O — CID 109164780

IUPACN-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3Br)cn2)c1
InChIInChI=1S/C19H13BrN4O/c20-16-6-1-2-7-17(16)24-19(25)14-8-9-18(22-12-14)23-15-5-3-4-13(10-15)11-21/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyYMOXLOUCASGXMV-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide

N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109164780) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
PubChem CID109164780
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3Br)cn2)c1
InChIInChI=1S/C19H13BrN4O/c20-16-6-1-2-7-17(16)24-19(25)14-8-9-18(22-12-14)23-15-5-3-4-13(10-15)11-21/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyYMOXLOUCASGXMV-UHFFFAOYSA-N
XLogP4.71
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
3-[(5-bromo-2-pyridinyl)amino]benzonitrile
CID 61375083
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide (CID 109164780) is N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3Br)cn2)c1.
What is the InChIKey of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is YMOXLOUCASGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-16-6-1-2-7-17(16)24-19(25)14-8-9-18(22-12-14)23-15-5-3-4-13(10-15)11-21/h1-10,12H,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide?
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).