N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C13H19N3O3 — CID 171674841

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc[nH]c1=O)C(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9(12(19)14-4)16-11(18)8-6-5-7-15-10(8)17/h5-7,9H,1-4H3,(H,14,19)(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyBTCVCAJLDAFCCF-SECBINFHSA-N
MW265.31 g/mol
LogP0.27
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171674841) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID171674841
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc[nH]c1=O)C(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9(12(19)14-4)16-11(18)8-6-5-7-15-10(8)17/h5-7,9H,1-4H3,(H,14,19)(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyBTCVCAJLDAFCCF-SECBINFHSA-N
XLogP0.27
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 171674841) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc[nH]c1=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BTCVCAJLDAFCCF-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)9(12(19)14-4)16-11(18)8-6-5-7-15-10(8)17/h5-7,9H,1-4H3,(H,14,19)(H,15,17)(H,16,18)/t9-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171674841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).