3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide

C15H22FN3O2 — CID 134434619

IUPAC3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)c2[nH]c(=O)ccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(2)19-8-6-15(3,7-9-19)18-14(21)13-11(16)4-5-12(20)17-13/h4-5,10H,6-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyVKLADJRRYHUVFH-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds3

About 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide

3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 134434619) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID134434619
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)c2[nH]c(=O)ccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(2)19-8-6-15(3,7-9-19)18-14(21)13-11(16)4-5-12(20)17-13/h4-5,10H,6-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyVKLADJRRYHUVFH-UHFFFAOYSA-N
XLogP1.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449100
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449525
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449526
1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457236
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457238
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457248
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457490
1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 139373425
1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 139373426
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373429

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide (CID 134434619) is 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide is CC(C)N1CCC(C)(NC(=O)c2[nH]c(=O)ccc2F)CC1.
What is the InChIKey of 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VKLADJRRYHUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)19-8-6-15(3,7-9-19)18-14(21)13-11(16)4-5-12(20)17-13/h4-5,10H,6-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide?
3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 134434619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).