(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate

C19H24N2O3 — CID 123631145

IUPAC(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate
SMILESCc1cc(Cc2ccccc2)c(COC(=O)NCC(C)C)c(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-13(2)11-20-19(23)24-12-17-16(9-14(3)21-18(17)22)10-15-7-5-4-6-8-15/h4-9,13H,10-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIKFBBFPUDGJJKB-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.16
Rot. Bonds6

About (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate

(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate (PubChem CID 123631145) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate
PubChem CID123631145
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate
SMILESCc1cc(Cc2ccccc2)c(COC(=O)NCC(C)C)c(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-13(2)11-20-19(23)24-12-17-16(9-14(3)21-18(17)22)10-15-7-5-4-6-8-15/h4-9,13H,10-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIKFBBFPUDGJJKB-UHFFFAOYSA-N
XLogP3.16
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-3,6-dimethyl-1H-pyridin-2-one
CID 71293406
3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane
CID 159817898
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
methyl 2-(3-benzyl-5-methyl-1H-pyrrol-2-yl)-2-oxoacetate
CID 70439995
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
4-benzyl-3-isocyano-6-methyl-1H-pyridin-2-one
CID 123526047
N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide
CID 67813792
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-[2-[3-methyl-4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]ethyl]carbamate
CID 68942927

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate?
The IUPAC name of (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate (CID 123631145) is (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate?
The canonical SMILES for (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate is Cc1cc(Cc2ccccc2)c(COC(=O)NCC(C)C)c(=O)[nH]1.
What is the InChIKey of (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate?
The InChIKey is IKFBBFPUDGJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)11-20-19(23)24-12-17-16(9-14(3)21-18(17)22)10-15-7-5-4-6-8-15/h4-9,13H,10-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate?
(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate has a molecular weight of 328.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 123631145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).