N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide

C15H14FN3O — CID 113021257

IUPACN-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cccc(F)c2)nc1)C1CC1
InChIInChI=1S/C15H14FN3O/c16-11-2-1-3-12(8-11)18-14-7-6-13(9-17-14)19-15(20)10-4-5-10/h1-3,6-10H,4-5H2,(H,17,18)(H,19,20)
InChIKeyYVVHCOWSHRPFAU-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.31
Rot. Bonds4

About N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide

N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113021257) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113021257
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC NameN-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cccc(F)c2)nc1)C1CC1
InChIInChI=1S/C15H14FN3O/c16-11-2-1-3-12(8-11)18-14-7-6-13(9-17-14)19-15(20)10-4-5-10/h1-3,6-10H,4-5H2,(H,17,18)(H,19,20)
InChIKeyYVVHCOWSHRPFAU-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide (CID 113021257) is N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2cccc(F)c2)nc1)C1CC1.
What is the InChIKey of N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is YVVHCOWSHRPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-11-2-1-3-12(8-11)18-14-7-6-13(9-17-14)19-15(20)10-4-5-10/h1-3,6-10H,4-5H2,(H,17,18)(H,19,20).
What are the key properties of N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide?
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 271.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113021257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).