N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide

C13H15F2N3O2 — CID 105380733

IUPACN-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C13H15F2N3O2/c1-8(19)18-6-3-9(4-7-18)17-13(20)10-2-5-16-12(15)11(10)14/h2,5,9H,3-4,6-7H2,1H3,(H,17,20)
InChIKeyCUJDASGTMNNPEA-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.10
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide

N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380733) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105380733
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C13H15F2N3O2/c1-8(19)18-6-3-9(4-7-18)17-13(20)10-2-5-16-12(15)11(10)14/h2,5,9H,3-4,6-7H2,1H3,(H,17,20)
InChIKeyCUJDASGTMNNPEA-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.10
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

2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide
CID 87887068
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide (CID 105380733) is N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide is CC(=O)N1CCC(NC(=O)c2ccnc(F)c2F)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is CUJDASGTMNNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-8(19)18-6-3-9(4-7-18)17-13(20)10-2-5-16-12(15)11(10)14/h2,5,9H,3-4,6-7H2,1H3,(H,17,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.10, 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)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).