4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane

C14H15BrClN3O — CID 144625083

IUPAC4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
SMILESCC.NC(=O)c1cnc(Cl)cc1Nc1cccc(Br)c1
InChIInChI=1S/C12H9BrClN3O.C2H6/c13-7-2-1-3-8(4-7)17-10-5-11(14)16-6-9(10)12(15)18;1-2/h1-6H,(H2,15,18)(H,16,17);1-2H3
InChIKeyYQZASFTVZUCMSZ-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.37
Rot. Bonds3

About 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane

4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane (PubChem CID 144625083) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
PubChem CID144625083
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
SMILESCC.NC(=O)c1cnc(Cl)cc1Nc1cccc(Br)c1
InChIInChI=1S/C12H9BrClN3O.C2H6/c13-7-2-1-3-8(4-7)17-10-5-11(14)16-6-9(10)12(15)18;1-2/h1-6H,(H2,15,18)(H,16,17);1-2H3
InChIKeyYQZASFTVZUCMSZ-UHFFFAOYSA-N
XLogP4.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyridine-3-carboxamide;6-chloro-4-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine
CID 158170867
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 58440318
6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide
CID 175501474
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
3-(4-bromo-2-carbamoylanilino)benzoic acid
CID 114889981
3-(3-bromoanilino)pyrazine-2-carboxamide
CID 122372728
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
sodium 6-(3-bromoanilino)-5-carbamoyl-2-methylpyridine-3-carboxylate
CID 23689600
2-(3-bromoanilino)-4-methoxybenzenecarbothioamide
CID 81306666
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane?
The IUPAC name of 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane (CID 144625083) is 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane.
What is the SMILES notation for 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane?
The canonical SMILES for 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane is CC.NC(=O)c1cnc(Cl)cc1Nc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane?
The InChIKey is YQZASFTVZUCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O.C2H6/c13-7-2-1-3-8(4-7)17-10-5-11(14)16-6-9(10)12(15)18;1-2/h1-6H,(H2,15,18)(H,16,17);1-2H3.
What are the key properties of 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane?
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane has a molecular weight of 356.65 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane is sourced from PubChem (CID 144625083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).