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

C19H13BrN4O — CID 109164779

IUPACN-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C19H13BrN4O/c20-15-6-2-4-8-17(15)24-19(25)14-9-10-18(22-12-14)23-16-7-3-1-5-13(16)11-21/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyDUBBPKPWJMQVIW-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

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

N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109164779) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
PubChem CID109164779
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C19H13BrN4O/c20-15-6-2-4-8-17(15)24-19(25)14-9-10-18(22-12-14)23-16-7-3-1-5-13(16)11-21/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyDUBBPKPWJMQVIW-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)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109164948
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
N-(2-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109164997
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156169

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide (CID 109164779) is N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide is N#Cc1ccccc1Nc1ccc(C(=O)Nc2ccccc2Br)cn1.
What is the InChIKey of N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is DUBBPKPWJMQVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-15-6-2-4-8-17(15)24-19(25)14-9-10-18(22-12-14)23-16-7-3-1-5-13(16)11-21/h1-10,12H,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide?
N-(2-bromophenyl)-6-(2-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-(2-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).