N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide

C17H18FN3O — CID 113024447

IUPACN-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(NC2CCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c18-13-7-5-12(6-8-13)17(22)21-16-10-9-15(11-19-16)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2,(H,19,21,22)
InChIKeyVUVQZQPSQLXLBL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.83
Rot. Bonds4

About N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide

N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide (PubChem CID 113024447) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
PubChem CID113024447
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(NC2CCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c18-13-7-5-12(6-8-13)17(22)21-16-10-9-15(11-19-16)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2,(H,19,21,22)
InChIKeyVUVQZQPSQLXLBL-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
CID 113024450
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
N-[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-pyridinyl]-4-fluorobenzamide
CID 58707812
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide (CID 113024447) is N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide is O=C(Nc1ccc(NC2CCCC2)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide?
The InChIKey is VUVQZQPSQLXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-13-7-5-12(6-8-13)17(22)21-16-10-9-15(11-19-16)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2,(H,19,21,22).
What are the key properties of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide?
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide has a molecular weight of 299.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113024447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).