ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate

C17H26N2O4 — CID 97252699

IUPACethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(=O)NC[C@H](OC)C(C)(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-7-23-16(21)12-8-13(11(2)18-9-12)15(20)19-10-14(22-6)17(3,4)5/h8-9,14H,7,10H2,1-6H3,(H,19,20)/t14-/m0/s1
InChIKeyNHCNXGFDKHSHEZ-AWEZNQCLSA-N
MW322.41 g/mol
LogP2.36
Rot. Bonds6

About ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate

ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate (PubChem CID 97252699) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate
PubChem CID97252699
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nameethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(=O)NC[C@H](OC)C(C)(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-7-23-16(21)12-8-13(11(2)18-9-12)15(20)19-10-14(22-6)17(3,4)5/h8-9,14H,7,10H2,1-6H3,(H,19,20)/t14-/m0/s1
InChIKeyNHCNXGFDKHSHEZ-AWEZNQCLSA-N
XLogP2.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-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 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
CID 167976323
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 154835412
N,5-diethyl-2-methylpyridine-3-carboxamide
CID 130428942
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 146108167
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate (CID 97252699) is ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(C(=O)NC[C@H](OC)C(C)(C)C)c1.
What is the InChIKey of ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate?
The InChIKey is NHCNXGFDKHSHEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-7-23-16(21)12-8-13(11(2)18-9-12)15(20)19-10-14(22-6)17(3,4)5/h8-9,14H,7,10H2,1-6H3,(H,19,20)/t14-/m0/s1.
What are the key properties of ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate?
ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 97252699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).