N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide

C19H14FN3O2 — CID 68734928

IUPACN-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide
SMILESNC(=O)c1cccc(N(C(=O)c2ccc(F)nc2)c2ccccc2)c1
InChIInChI=1S/C19H14FN3O2/c20-17-10-9-14(12-22-17)19(25)23(15-6-2-1-3-7-15)16-8-4-5-13(11-16)18(21)24/h1-12H,(H2,21,24)
InChIKeyIIJQUQVSZVGDGM-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.30
Rot. Bonds4

About N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide

N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide (PubChem CID 68734928) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide
PubChem CID68734928
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC NameN-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide
SMILESNC(=O)c1cccc(N(C(=O)c2ccc(F)nc2)c2ccccc2)c1
InChIInChI=1S/C19H14FN3O2/c20-17-10-9-14(12-22-17)19(25)23(15-6-2-1-3-7-15)16-8-4-5-13(11-16)18(21)24/h1-12H,(H2,21,24)
InChIKeyIIJQUQVSZVGDGM-UHFFFAOYSA-N
XLogP3.30
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoyl-N-(6-fluoropyridine-3-carbonyl)anilino) carbamate
CID 175985133
2-N,2-N-diphenylpyridine-2,5-dicarboxamide
CID 169087629
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
CID 154094255
N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide
CID 154145322
2-fluoro-5-(1,2,2-triphenylethenyl)pyridine
CID 167442654
phenyl 6-fluoropyridine-3-carboxylate
CID 145020891
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948
3-[N-benzoyl-2-[bromo-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-(trifluoromethyl)-λ4-sulfanyl]anilino]benzamide
CID 142693261
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide (CID 68734928) is N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide is NC(=O)c1cccc(N(C(=O)c2ccc(F)nc2)c2ccccc2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide?
The InChIKey is IIJQUQVSZVGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-17-10-9-14(12-22-17)19(25)23(15-6-2-1-3-7-15)16-8-4-5-13(11-16)18(21)24/h1-12H,(H2,21,24).
What are the key properties of N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide?
N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 68734928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).