1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide

C18H27N3O3 — CID 125157549

IUPAC1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CCCN(C(=O)C(C)C)C2)n1C
InChIInChI=1S/C18H27N3O3/c1-12(2)18(24)21-7-5-6-14(11-21)10-19-17(23)16-9-15(22)8-13(3)20(16)4/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyHJIKICIABNUSHM-CQSZACIVSA-N
MW333.43 g/mol
LogP1.32
Rot. Bonds4

About 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide

1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide (PubChem CID 125157549) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide
PubChem CID125157549
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CCCN(C(=O)C(C)C)C2)n1C
InChIInChI=1S/C18H27N3O3/c1-12(2)18(24)21-7-5-6-14(11-21)10-19-17(23)16-9-15(22)8-13(3)20(16)4/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyHJIKICIABNUSHM-CQSZACIVSA-N
XLogP1.32
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide (CID 125157549) is 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NC[C@H]2CCCN(C(=O)C(C)C)C2)n1C.
What is the InChIKey of 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide?
The InChIKey is HJIKICIABNUSHM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)18(24)21-7-5-6-14(11-21)10-19-17(23)16-9-15(22)8-13(3)20(16)4/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide?
1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 125157549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).