N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide

C13H18FN3O — CID 113323521

IUPACN-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
SMILESCCN1CCCC(NC(=O)c2cccc(F)n2)C1
InChIInChI=1S/C13H18FN3O/c1-2-17-8-4-5-10(9-17)15-13(18)11-6-3-7-12(14)16-11/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,18)
InChIKeyVBARQCGZDHLTSC-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.43
Rot. Bonds3

About N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide

N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide (PubChem CID 113323521) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
PubChem CID113323521
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
SMILESCCN1CCCC(NC(=O)c2cccc(F)n2)C1
InChIInChI=1S/C13H18FN3O/c1-2-17-8-4-5-10(9-17)15-13(18)11-6-3-7-12(14)16-11/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,18)
InChIKeyVBARQCGZDHLTSC-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212
6-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridazine-3-carboxamide
CID 62173485
6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 115497114
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 63185168
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide (CID 113323521) is N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide is CCN1CCCC(NC(=O)c2cccc(F)n2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide?
The InChIKey is VBARQCGZDHLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-17-8-4-5-10(9-17)15-13(18)11-6-3-7-12(14)16-11/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,18).
What are the key properties of N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide?
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113323521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).