propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate

C19H23NO3 — CID 155594282

IUPACpropan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
SMILESCCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1
InChIInChI=1S/C19H23NO3/c1-5-6-14-7-9-15(10-8-14)17-11-16(22-4)12-18(20-17)19(21)23-13(2)3/h7-13H,5-6H2,1-4H3
InChIKeyFHFMRNXRXZRDLB-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.27
Rot. Bonds6

About propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate

propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate (PubChem CID 155594282) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
PubChem CID155594282
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namepropan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
SMILESCCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1
InChIInChI=1S/C19H23NO3/c1-5-6-14-7-9-15(10-8-14)17-11-16(22-4)12-18(20-17)19(21)23-13(2)3/h7-13H,5-6H2,1-4H3
InChIKeyFHFMRNXRXZRDLB-UHFFFAOYSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
CID 82634698
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
CID 144561639
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
CID 58621336
CID 58621336
propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate
CID 162377120
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
ethane;1-methoxy-4-propylbenzene
CID 142085762
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972
propan-2-yl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1379079
propan-2-yl 5-butylpyridine-2-carboxylate
CID 67977918

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate (CID 155594282) is propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate is CCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.
What is the InChIKey of propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate?
The InChIKey is FHFMRNXRXZRDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-6-14-7-9-15(10-8-14)17-11-16(22-4)12-18(20-17)19(21)23-13(2)3/h7-13H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate?
propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 155594282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).