N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide

C15H21N3O3 — CID 131948637

IUPACN-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC(NC(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C15H21N3O3/c1-10(2)15(21)18-8-4-5-11(9-18)16-14(20)12-6-3-7-13(19)17-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyKCJNQDAEKMJJQP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds3

About N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 131948637) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID131948637
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC(NC(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C15H21N3O3/c1-10(2)15(21)18-8-4-5-11(9-18)16-14(20)12-6-3-7-13(19)17-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyKCJNQDAEKMJJQP-UHFFFAOYSA-N
XLogP0.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 131948637) is N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is CC(C)C(=O)N1CCCC(NC(=O)c2cccc(=O)[nH]2)C1.
What is the InChIKey of N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is KCJNQDAEKMJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)15(21)18-8-4-5-11(9-18)16-14(20)12-6-3-7-13(19)17-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 131948637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).