benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate

C18H19N3O4 — CID 142183925

IUPACbenzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate
SMILESCc1c(C)c(O)n(CCNC(=O)OCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C18H19N3O4/c1-12-13(2)16(22)21(17(23)15(12)10-19)9-8-20-18(24)25-11-14-6-4-3-5-7-14/h3-7,22H,8-9,11H2,1-2H3,(H,20,24)
InChIKeyQMRSPIBPABFOOR-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.97
Rot. Bonds5

About benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate

benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate (PubChem CID 142183925) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate
PubChem CID142183925
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namebenzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate
SMILESCc1c(C)c(O)n(CCNC(=O)OCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C18H19N3O4/c1-12-13(2)16(22)21(17(23)15(12)10-19)9-8-20-18(24)25-11-14-6-4-3-5-7-14/h3-7,22H,8-9,11H2,1-2H3,(H,20,24)
InChIKeyQMRSPIBPABFOOR-UHFFFAOYSA-N
XLogP1.97
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2-[2,4,6-trioxo-3,5-bis[2-(phenylmethoxycarbonylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]carbamate
CID 118585539
benzyl 2,5-dimethyl-1-[2-(phenylmethoxycarbonylamino)ethyl]pyrrole-3-carboxylate
CID 22159343
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351
6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116806
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl 2,3,4-tricyano-5-iodo-6-methylbenzoate
CID 138649763
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
CID 23510764
benzyl N-(3-thiocyanatopropyl)carbamate
CID 12015336
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate (CID 142183925) is benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate is Cc1c(C)c(O)n(CCNC(=O)OCc2ccccc2)c(=O)c1C#N.
What is the InChIKey of benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate?
The InChIKey is QMRSPIBPABFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-13(2)16(22)21(17(23)15(12)10-19)9-8-20-18(24)25-11-14-6-4-3-5-7-14/h3-7,22H,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate?
benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate has a molecular weight of 341.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(5-cyano-2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 142183925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).