tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

C19H24N2O3 — CID 67951732

IUPACtert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCc1cc(Cc2ccccc2)[nH]c(=O)c1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O3/c1-13-10-15(11-14-8-6-5-7-9-14)21-17(22)16(13)12-20-18(23)24-19(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyVKUMXVIKPZMHBK-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (PubChem CID 67951732) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID67951732
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCc1cc(Cc2ccccc2)[nH]c(=O)c1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O3/c1-13-10-15(11-14-8-6-5-7-9-14)21-17(22)16(13)12-20-18(23)24-19(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyVKUMXVIKPZMHBK-UHFFFAOYSA-N
XLogP3.30
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]carbamate
CID 118101370
tert-butyl N-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-oxo-1-phenylbutyl]carbamate
CID 86891375
2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 126605003
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
3-(aminomethyl)-4-[[3-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methylamino]phenyl]methyl]-6-methyl-1H-pyridin-2-one
CID 126549242
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
CID 164643510
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[(6-chloro-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 146200931
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (CID 67951732) is tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is Cc1cc(Cc2ccccc2)[nH]c(=O)c1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The InChIKey is VKUMXVIKPZMHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-10-15(11-14-8-6-5-7-9-14)21-17(22)16(13)12-20-18(23)24-19(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 67951732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).