1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide

C13H16FN3O2 — CID 61292731

IUPAC1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H16FN3O2/c1-8-2-3-10(12(15)18)7-17(8)13(19)9-4-5-16-11(14)6-9/h4-6,8,10H,2-3,7H2,1H3,(H2,15,18)
InChIKeyMWGJYVWZAZMRTO-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.95
Rot. Bonds2

About 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide

1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 61292731) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID61292731
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H16FN3O2/c1-8-2-3-10(12(15)18)7-17(8)13(19)9-4-5-16-11(14)6-9/h4-6,8,10H,2-3,7H2,1H3,(H2,15,18)
InChIKeyMWGJYVWZAZMRTO-UHFFFAOYSA-N
XLogP0.95
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.95
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

4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide
CID 52531236
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide (CID 61292731) is 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1ccnc(F)c1.
What is the InChIKey of 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is MWGJYVWZAZMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8-2-3-10(12(15)18)7-17(8)13(19)9-4-5-16-11(14)6-9/h4-6,8,10H,2-3,7H2,1H3,(H2,15,18).
What are the key properties of 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide?
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 61292731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).