ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate

C18H20N2O4 — CID 4860708

IUPACethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)OCc2ccccc2)c(C)nc1C
InChIInChI=1S/C18H20N2O4/c1-4-23-17(21)15-10-16(13(3)19-12(15)2)20-18(22)24-11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyHXDJTQHWTRBCLZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.62
Rot. Bonds5

About ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate

ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate (PubChem CID 4860708) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
PubChem CID4860708
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)OCc2ccccc2)c(C)nc1C
InChIInChI=1S/C18H20N2O4/c1-4-23-17(21)15-10-16(13(3)19-12(15)2)20-18(22)24-11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyHXDJTQHWTRBCLZ-UHFFFAOYSA-N
XLogP3.62
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate
CID 11014212
ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 4788353
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192
ethyl 4,5-difluoro-2-(naphthalen-2-ylmethoxycarbonylamino)benzoate
CID 169223545
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate (CID 4860708) is ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)OCc2ccccc2)c(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate?
The InChIKey is HXDJTQHWTRBCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-23-17(21)15-10-16(13(3)19-12(15)2)20-18(22)24-11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate?
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate is sourced from PubChem (CID 4860708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).