benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate

C17H19N3O3 — CID 10470827

IUPACbenzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
SMILESCc1cc(C)nc(NC(=O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-12-8-13(2)19-15(9-12)20-16(21)10-18-17(22)23-11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyWQCUMJLETPAWDK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.56
Rot. Bonds5

About benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate

benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate (PubChem CID 10470827) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
PubChem CID10470827
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namebenzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
SMILESCc1cc(C)nc(NC(=O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-12-8-13(2)19-15(9-12)20-16(21)10-18-17(22)23-11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyWQCUMJLETPAWDK-UHFFFAOYSA-N
XLogP2.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
CID 122295713
benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
CID 60596320
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613
benzyl N-[2-[[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-2-oxoethyl]carbamate
CID 167053629
benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate
CID 122317890
benzyl N-[2-[[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]amino]-2-oxoethyl]carbamate
CID 122303450
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
CID 60595823

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate (CID 10470827) is benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate is Cc1cc(C)nc(NC(=O)CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate?
The InChIKey is WQCUMJLETPAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-8-13(2)19-15(9-12)20-16(21)10-18-17(22)23-11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate has a molecular weight of 313.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 10470827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).