N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide

C13H15ClFN3O2 — CID 87887068

IUPACN-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(F)nc2Cl)CC1
InChIInChI=1S/C13H15ClFN3O2/c1-8(19)18-6-4-9(5-7-18)16-13(20)10-2-3-11(15)17-12(10)14/h2-3,9H,4-7H2,1H3,(H,16,20)
InChIKeyADRVAZHZWGSJSC-UHFFFAOYSA-N
MW299.73 g/mol
LogP1.61
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide

N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide (PubChem CID 87887068) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide
PubChem CID87887068
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(F)nc2Cl)CC1
InChIInChI=1S/C13H15ClFN3O2/c1-8(19)18-6-4-9(5-7-18)16-13(20)10-2-3-11(15)17-12(10)14/h2-3,9H,4-7H2,1H3,(H,16,20)
InChIKeyADRVAZHZWGSJSC-UHFFFAOYSA-N
XLogP1.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.61
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

N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
CID 103706469
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
6-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-2-amino-N-cyclopentylpyridine-3-carboxamide
CID 92640073

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide (CID 87887068) is N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide is CC(=O)N1CCC(NC(=O)c2ccc(F)nc2Cl)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide?
The InChIKey is ADRVAZHZWGSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c1-8(19)18-6-4-9(5-7-18)16-13(20)10-2-3-11(15)17-12(10)14/h2-3,9H,4-7H2,1H3,(H,16,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide has a molecular weight of 299.73 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 87887068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).