(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide

C18H28N2O4 — CID 95142078

IUPAC(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
SMILESCc1cc(C)c(CNC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c(=O)[nH]1
InChIInChI=1S/C18H28N2O4/c1-11(2)16(24-10-14-6-5-7-23-14)18(22)19-9-15-12(3)8-13(4)20-17(15)21/h8,11,14,16H,5-7,9-10H2,1-4H3,(H,19,22)(H,20,21)/t14-,16-/m0/s1
InChIKeyOJTZRTAFQYTHAH-HOCLYGCPSA-N
MW336.43 g/mol
LogP1.83
Rot. Bonds7

About (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide

(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide (PubChem CID 95142078) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide.

Molecular Properties

Compound Name(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
PubChem CID95142078
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
SMILESCc1cc(C)c(CNC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c(=O)[nH]1
InChIInChI=1S/C18H28N2O4/c1-11(2)16(24-10-14-6-5-7-23-14)18(22)19-9-15-12(3)8-13(4)20-17(15)21/h8,11,14,16H,5-7,9-10H2,1-4H3,(H,19,22)(H,20,21)/t14-,16-/m0/s1
InChIKeyOJTZRTAFQYTHAH-HOCLYGCPSA-N
XLogP1.83
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95976098
(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 94820589
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524
(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
CID 52536429
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
CID 95977214
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082562
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide
CID 95341337
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082554
4,6-dimethyl-2-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-pyridine-3-carboxamide
CID 95906136

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
The IUPAC name of (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide (CID 95142078) is (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide.
What is the SMILES notation for (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
The canonical SMILES for (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide is Cc1cc(C)c(CNC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c(=O)[nH]1.
What is the InChIKey of (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
The InChIKey is OJTZRTAFQYTHAH-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-11(2)16(24-10-14-6-5-7-23-14)18(22)19-9-15-12(3)8-13(4)20-17(15)21/h8,11,14,16H,5-7,9-10H2,1-4H3,(H,19,22)(H,20,21)/t14-,16-/m0/s1.
What are the key properties of (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide has a molecular weight of 336.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide is sourced from PubChem (CID 95142078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).