2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

C14H22N2O3 — CID 126605003

IUPAC2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCCC(C)(C)OC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-6-14(4,5)19-13(18)15-8-11-9(2)7-10(3)16-12(11)17/h7H,6,8H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyIRQAIBVCLYJYLS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.41
Rot. Bonds4

About 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (PubChem CID 126605003) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID126605003
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCCC(C)(C)OC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-6-14(4,5)19-13(18)15-8-11-9(2)7-10(3)16-12(11)17/h7H,6,8H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyIRQAIBVCLYJYLS-UHFFFAOYSA-N
XLogP2.41
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 51109177
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide
CID 167108291
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 67951732
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 95976051
tert-butyl N-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-oxo-1-phenylbutyl]carbamate
CID 86891375
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95135842
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (CID 126605003) is 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is CCC(C)(C)OC(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The InChIKey is IRQAIBVCLYJYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-14(4,5)19-13(18)15-8-11-9(2)7-10(3)16-12(11)17/h7H,6,8H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 126605003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).