6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide

C19H13BrN4O — CID 109163836

IUPAC6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C19H13BrN4O/c20-15-4-8-16(9-5-15)23-18-10-3-14(12-22-18)19(25)24-17-6-1-13(11-21)2-7-17/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyVYVXGOOPIWXWLJ-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide

6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109163836) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
PubChem CID109163836
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C19H13BrN4O/c20-15-4-8-16(9-5-15)23-18-10-3-14(12-22-18)19(25)24-17-6-1-13(11-21)2-7-17/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyVYVXGOOPIWXWLJ-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

4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
6-(5-chloro-2-methylanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163592
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide (CID 109163836) is 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Nc3ccc(Br)cc3)nc2)cc1.
What is the InChIKey of 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is VYVXGOOPIWXWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-15-4-8-16(9-5-15)23-18-10-3-14(12-22-18)19(25)24-17-6-1-13(11-21)2-7-17/h1-10,12H,(H,22,23)(H,24,25).
What are the key properties of 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
6-(4-bromoanilino)-N-(4-cyanophenyl)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 6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).