ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate

C22H26N2O5 — CID 31537153

IUPACethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)nc1
InChIInChI=1S/C22H26N2O5/c1-5-29-22(25)16-6-7-20(23-14-16)24-10-8-15(9-11-24)21-18(27-3)12-17(26-2)13-19(21)28-4/h6-8,12-14H,5,9-11H2,1-4H3
InChIKeyWYBUZDCMRYDGHL-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.58
Rot. Bonds7

About ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate (PubChem CID 31537153) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
PubChem CID31537153
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nameethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)nc1
InChIInChI=1S/C22H26N2O5/c1-5-29-22(25)16-6-7-20(23-14-16)24-10-8-15(9-11-24)21-18(27-3)12-17(26-2)13-19(21)28-4/h6-8,12-14H,5,9-11H2,1-4H3
InChIKeyWYBUZDCMRYDGHL-UHFFFAOYSA-N
XLogP3.58
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
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ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
ethyl 6-[4-[(4-methoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 51128296
ethyl 6-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55578396
ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33370979
ethyl 6-[4-(3-phenoxypropyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55579197
ethyl 6-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133455882
2-(5-ethoxycarbonyl-2-pyridinyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 67353760
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline
CID 24573175

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate (CID 31537153) is ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)nc1.
What is the InChIKey of ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate?
The InChIKey is WYBUZDCMRYDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-29-22(25)16-6-7-20(23-14-16)24-10-8-15(9-11-24)21-18(27-3)12-17(26-2)13-19(21)28-4/h6-8,12-14H,5,9-11H2,1-4H3.
What are the key properties of ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 31537153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).