N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide

C18H13BrFN3O — CID 23632769

IUPACN-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C18H13BrFN3O/c19-12-5-3-6-13(11-12)22-18(24)14-7-4-10-21-17(14)23-16-9-2-1-8-15(16)20/h1-11H,(H,21,23)(H,22,24)
InChIKeyCMAMOVVFOZZREG-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.98
Rot. Bonds4

About N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide

N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide (PubChem CID 23632769) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
PubChem CID23632769
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC NameN-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C18H13BrFN3O/c19-12-5-3-6-13(11-12)22-18(24)14-7-4-10-21-17(14)23-16-9-2-1-8-15(16)20/h1-11H,(H,21,23)(H,22,24)
InChIKeyCMAMOVVFOZZREG-UHFFFAOYSA-N
XLogP4.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 51335853

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide (CID 23632769) is N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide is O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1F.
What is the InChIKey of N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is CMAMOVVFOZZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-12-5-3-6-13(11-12)22-18(24)14-7-4-10-21-17(14)23-16-9-2-1-8-15(16)20/h1-11H,(H,21,23)(H,22,24).
What are the key properties of N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 386.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).