3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide

C15H16FN3O — CID 113009042

IUPAC3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
SMILESCCCNc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C15H16FN3O/c1-2-8-17-14-7-6-13(10-18-14)19-15(20)11-4-3-5-12(16)9-11/h3-7,9-10H,2,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyXVQCHSMDQVEQII-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.29
Rot. Bonds5

About 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide

3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide (PubChem CID 113009042) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
PubChem CID113009042
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
SMILESCCCNc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C15H16FN3O/c1-2-8-17-14-7-6-13(10-18-14)19-15(20)11-4-3-5-12(16)9-11/h3-7,9-10H,2,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyXVQCHSMDQVEQII-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide (CID 113009042) is 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide is CCCNc1ccc(NC(=O)c2cccc(F)c2)cn1.
What is the InChIKey of 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide?
The InChIKey is XVQCHSMDQVEQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-8-17-14-7-6-13(10-18-14)19-15(20)11-4-3-5-12(16)9-11/h3-7,9-10H,2,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide?
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113009042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).