benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate

C19H17N3O3 — CID 117074356

IUPACbenzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate
SMILESCn1cc(-c2ccncc2)cc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C19H17N3O3/c1-22-12-16(15-7-9-20-10-8-15)11-17(18(22)23)21-19(24)25-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,24)
InChIKeyWCVBJBUUYUFHJM-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.20
Rot. Bonds4

About benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate

benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate (PubChem CID 117074356) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate
PubChem CID117074356
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namebenzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate
SMILESCn1cc(-c2ccncc2)cc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C19H17N3O3/c1-22-12-16(15-7-9-20-10-8-15)11-17(18(22)23)21-19(24)25-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,24)
InChIKeyWCVBJBUUYUFHJM-UHFFFAOYSA-N
XLogP3.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
1-methyl-3-[[(E)-4-oxopent-2-en-2-yl]amino]-5-pyridin-4-ylpyridin-2-one
CID 70544032
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate
CID 169095150
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate?
The IUPAC name of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate (CID 117074356) is benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate is Cn1cc(-c2ccncc2)cc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate?
The InChIKey is WCVBJBUUYUFHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-12-16(15-7-9-20-10-8-15)11-17(18(22)23)21-19(24)25-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate?
benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate has a molecular weight of 335.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 117074356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).