N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide

C15H23N3O2 — CID 107261496

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C15H23N3O2/c1-12-6-10-18(11-7-12)9-3-8-16-15(20)13-4-2-5-14(19)17-13/h2,4-5,12H,3,6-11H2,1H3,(H,16,20)(H,17,19)
InChIKeyXOTILMFMZAICFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.23
Rot. Bonds5

About N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107261496) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107261496
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C15H23N3O2/c1-12-6-10-18(11-7-12)9-3-8-16-15(20)13-4-2-5-14(19)17-13/h2,4-5,12H,3,6-11H2,1H3,(H,16,20)(H,17,19)
InChIKeyXOTILMFMZAICFX-UHFFFAOYSA-N
XLogP1.23
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[4-(4-methylpiperidin-1-yl)butyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86990919
N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261784
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
(E)-3-(2,6-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]prop-2-enamide
CID 47888977
N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
CID 106129299

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide (CID 107261496) is N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide is CC1CCN(CCCNC(=O)c2cccc(=O)[nH]2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is XOTILMFMZAICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-6-10-18(11-7-12)9-3-8-16-15(20)13-4-2-5-14(19)17-13/h2,4-5,12H,3,6-11H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).