N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide

C12H15FN2O — CID 115496783

IUPACN-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
SMILESO=C(NCC1CCCC1)c1cccc(F)n1
InChIInChI=1S/C12H15FN2O/c13-11-7-3-6-10(15-11)12(16)14-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,14,16)
InChIKeyPFPSBGUHUSJVGL-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.14
Rot. Bonds3

About N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide

N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115496783) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
PubChem CID115496783
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
SMILESO=C(NCC1CCCC1)c1cccc(F)n1
InChIInChI=1S/C12H15FN2O/c13-11-7-3-6-10(15-11)12(16)14-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,14,16)
InChIKeyPFPSBGUHUSJVGL-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107412464
6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
CID 115497967
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372
6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 115497910
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-fluoropyridine-2-carboxamide
CID 115497987
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide (CID 115496783) is N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide is O=C(NCC1CCCC1)c1cccc(F)n1.
What is the InChIKey of N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is PFPSBGUHUSJVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-7-3-6-10(15-11)12(16)14-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,14,16).
What are the key properties of N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide?
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).