methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate

C17H18N2O3 — CID 166163037

IUPACmethyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)cc1-c1cc(C2CC2)ncc1OC
InChIInChI=1S/C17H18N2O3/c1-10-6-12(14(8-18-10)17(20)22-3)13-7-15(11-4-5-11)19-9-16(13)21-2/h6-9,11H,4-5H2,1-3H3
InChIKeyOHMBYBVWHLWEEM-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.12
Rot. Bonds4

About methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate

methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate (PubChem CID 166163037) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate
PubChem CID166163037
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)cc1-c1cc(C2CC2)ncc1OC
InChIInChI=1S/C17H18N2O3/c1-10-6-12(14(8-18-10)17(20)22-3)13-7-15(11-4-5-11)19-9-16(13)21-2/h6-9,11H,4-5H2,1-3H3
InChIKeyOHMBYBVWHLWEEM-UHFFFAOYSA-N
XLogP3.12
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate (CID 166163037) is methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate is COC(=O)c1cnc(C)cc1-c1cc(C2CC2)ncc1OC.
What is the InChIKey of methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate?
The InChIKey is OHMBYBVWHLWEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-6-12(14(8-18-10)17(20)22-3)13-7-15(11-4-5-11)19-9-16(13)21-2/h6-9,11H,4-5H2,1-3H3.
What are the key properties of methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate?
methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 166163037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).