2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

C16H18N2O3 — CID 67232650

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCc2ncccc2C(N)=O)cc1OC
InChIInChI=1S/C16H18N2O3/c1-20-14-8-6-11(10-15(14)21-2)5-7-13-12(16(17)19)4-3-9-18-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,17,19)
InChIKeyBPGQTDNFJLYGGO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 67232650) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID67232650
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCc2ncccc2C(N)=O)cc1OC
InChIInChI=1S/C16H18N2O3/c1-20-14-8-6-11(10-15(14)21-2)5-7-13-12(16(17)19)4-3-9-18-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,17,19)
InChIKeyBPGQTDNFJLYGGO-UHFFFAOYSA-N
XLogP1.98
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
CID 166012347
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185238
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
2-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide
CID 172813947
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 154375550
bis[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanone
CID 54160091
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide (CID 67232650) is 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCc2ncccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BPGQTDNFJLYGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-8-6-11(10-15(14)21-2)5-7-13-12(16(17)19)4-3-9-18-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,17,19).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 67232650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).