[2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate

C19H22N2O4 — CID 102387247

IUPAC[2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate
SMILESCOc1cc(C2CCCN2C)cc(OC)c1OC(=O)c1ccncc1
InChIInChI=1S/C19H22N2O4/c1-21-10-4-5-15(21)14-11-16(23-2)18(17(12-14)24-3)25-19(22)13-6-8-20-9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyCGNWYHGYFNIOET-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.08
Rot. Bonds5

About [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate

[2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate (PubChem CID 102387247) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate
PubChem CID102387247
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate
SMILESCOc1cc(C2CCCN2C)cc(OC)c1OC(=O)c1ccncc1
InChIInChI=1S/C19H22N2O4/c1-21-10-4-5-15(21)14-11-16(23-2)18(17(12-14)24-3)25-19(22)13-6-8-20-9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyCGNWYHGYFNIOET-UHFFFAOYSA-N
XLogP3.08
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate
CID 2362683
[2-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2398662
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
1-(Pyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5926900
CYP1A1 inhibitor 8a
CID 10379988
(E)-1-pyridin-3-yl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19553304
(E)-1-pyridin-4-yl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 76319044
(E)-3-(4-ethoxy-3,5-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 118491249
(E)-3-(3-ethoxy-4,5-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 144953608
(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 144953612
(E)-1-pyridin-4-yl-3-(3,4,5-triethoxyphenyl)prop-2-en-1-one
CID 144953614
1,3-Benzodioxol-5-yl pyridine-4-carboxylate
CID 2669338

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate?
The IUPAC name of [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate (CID 102387247) is [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate.
What is the SMILES notation for [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate?
The canonical SMILES for [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate is COc1cc(C2CCCN2C)cc(OC)c1OC(=O)c1ccncc1.
What is the InChIKey of [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate?
The InChIKey is CGNWYHGYFNIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21-10-4-5-15(21)14-11-16(23-2)18(17(12-14)24-3)25-19(22)13-6-8-20-9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate?
[2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-(1-methylpyrrolidin-2-yl)phenyl] pyridine-4-carboxylate is sourced from PubChem (CID 102387247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).