N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C22H26N2O4 — CID 51274234

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-27-20-8-3-16(15-21(20)28-2)9-12-23-22(26)24-13-10-18(11-14-24)17-4-6-19(25)7-5-17/h3-8,10,15,25H,9,11-14H2,1-2H3,(H,23,26)
InChIKeyIGRAKMUKTBRGPD-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 51274234) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID51274234
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-27-20-8-3-16(15-21(20)28-2)9-12-23-22(26)24-13-10-18(11-14-24)17-4-6-19(25)7-5-17/h3-8,10,15,25H,9,11-14H2,1-2H3,(H,23,26)
InChIKeyIGRAKMUKTBRGPD-UHFFFAOYSA-N
XLogP3.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632631
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
N-benzyl-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 38882796
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108506327
4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 38884997
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 51077542
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 51274234) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(CCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is IGRAKMUKTBRGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-20-8-3-16(15-21(20)28-2)9-12-23-22(26)24-13-10-18(11-14-24)17-4-6-19(25)7-5-17/h3-8,10,15,25H,9,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 51274234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).