6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide

C19H14Cl2FN3O — CID 87758912

IUPAC6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H14Cl2FN3O/c1-11-15(7-9-18(21)23-11)19(26)25-14-6-8-16(20)17(10-14)24-13-4-2-12(22)3-5-13/h2-10,24H,1H3,(H,25,26)
InChIKeyIUAMEVCZHACXDJ-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.83
Rot. Bonds4

About 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide

6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 87758912) has the molecular formula C19H14Cl2FN3O and a molecular weight of 390.25 g/mol. Its IUPAC name is 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide
PubChem CID87758912
Molecular FormulaC19H14Cl2FN3O
Molecular Weight390.25 g/mol
Exact Mass389.05
IUPAC Name6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H14Cl2FN3O/c1-11-15(7-9-18(21)23-11)19(26)25-14-6-8-16(20)17(10-14)24-13-4-2-12(22)3-5-13/h2-10,24H,1H3,(H,25,26)
InChIKeyIUAMEVCZHACXDJ-UHFFFAOYSA-N
XLogP5.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.83
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

N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730638
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
N-(4-chloro-3-pyrazol-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 45485749
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
2-chloro-4-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 42474385
N-(6-chloro-2-methyl-3-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107301250
2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 50946377
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide (CID 87758912) is 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide is Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccc(F)cc2)c1.
What is the InChIKey of 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is IUAMEVCZHACXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O/c1-11-15(7-9-18(21)23-11)19(26)25-14-6-8-16(20)17(10-14)24-13-4-2-12(22)3-5-13/h2-10,24H,1H3,(H,25,26).
What are the key properties of 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide?
6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 390.25 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-chloro-3-(4-fluoroanilino)phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 87758912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).