N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide

C15H24N2O3 — CID 126425625

IUPACN-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@@H](C)CCCC(C)(C)O)[nH]1
InChIInChI=1S/C15H24N2O3/c1-10(6-5-7-15(3,4)20)17-14(19)13-9-12(18)8-11(2)16-13/h8-10,20H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyNATNLZUONFKCST-JTQLQIEISA-N
MW280.37 g/mol
LogP1.74
Rot. Bonds6

About N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide

N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 126425625) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
PubChem CID126425625
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@@H](C)CCCC(C)(C)O)[nH]1
InChIInChI=1S/C15H24N2O3/c1-10(6-5-7-15(3,4)20)17-14(19)13-9-12(18)8-11(2)16-13/h8-10,20H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyNATNLZUONFKCST-JTQLQIEISA-N
XLogP1.74
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide (CID 126425625) is N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)N[C@@H](C)CCCC(C)(C)O)[nH]1.
What is the InChIKey of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NATNLZUONFKCST-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(6-5-7-15(3,4)20)17-14(19)13-9-12(18)8-11(2)16-13/h8-10,20H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 126425625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).