4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide

C15H16FN3O — CID 113023565

IUPAC4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
SMILESCC(C)Nc1ccc(NC(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C15H16FN3O/c1-10(2)18-13-7-8-14(17-9-13)19-15(20)11-3-5-12(16)6-4-11/h3-10,18H,1-2H3,(H,17,19,20)
InChIKeyMCSLPYURUHBCDQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.29
Rot. Bonds4

About 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide

4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide (PubChem CID 113023565) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
PubChem CID113023565
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
SMILESCC(C)Nc1ccc(NC(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C15H16FN3O/c1-10(2)18-13-7-8-14(17-9-13)19-15(20)11-3-5-12(16)6-4-11/h3-10,18H,1-2H3,(H,17,19,20)
InChIKeyMCSLPYURUHBCDQ-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
4-[(4-fluorophenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35025590
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
CID 113030264
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide (CID 113023565) is 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide is CC(C)Nc1ccc(NC(=O)c2ccc(F)cc2)nc1.
What is the InChIKey of 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
The InChIKey is MCSLPYURUHBCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(2)18-13-7-8-14(17-9-13)19-15(20)11-3-5-12(16)6-4-11/h3-10,18H,1-2H3,(H,17,19,20).
What are the key properties of 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113023565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).