N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide

C22H25ClFN3O2 — CID 130285889

IUPACN-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NCCCCC1(NC(=O)c2ccc(F)cn2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C22H25ClFN3O2/c23-17-7-5-6-16(14-17)20(28)25-13-4-3-12-22(10-1-2-11-22)27-21(29)19-9-8-18(24)15-26-19/h5-9,14-15H,1-4,10-13H2,(H,25,28)(H,27,29)
InChIKeyXSDJHQJERAIQBB-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.52
Rot. Bonds8

About N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide

N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide (PubChem CID 130285889) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide
PubChem CID130285889
Molecular FormulaC22H25ClFN3O2
Molecular Weight417.91 g/mol
Exact Mass417.16
IUPAC NameN-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NCCCCC1(NC(=O)c2ccc(F)cn2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C22H25ClFN3O2/c23-17-7-5-6-16(14-17)20(28)25-13-4-3-12-22(10-1-2-11-22)27-21(29)19-9-8-18(24)15-26-19/h5-9,14-15H,1-4,10-13H2,(H,25,28)(H,27,29)
InChIKeyXSDJHQJERAIQBB-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide
CID 129162378
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide
CID 130285469
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
CID 121494281
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
CID 119566570
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
CID 104643153
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide (CID 130285889) is N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide is O=C(NCCCCC1(NC(=O)c2ccc(F)cn2)CCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is XSDJHQJERAIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O2/c23-17-7-5-6-16(14-17)20(28)25-13-4-3-12-22(10-1-2-11-22)27-21(29)19-9-8-18(24)15-26-19/h5-9,14-15H,1-4,10-13H2,(H,25,28)(H,27,29).
What are the key properties of N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide?
N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 417.91 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 130285889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).