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

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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).