3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide

C17H20N2O3 — CID 788801

IUPAC3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ccncc2)cc1OCC
InChIInChI=1S/C17H20N2O3/c1-3-21-15-6-5-14(11-16(15)22-4-2)17(20)19-12-13-7-9-18-10-8-13/h5-11H,3-4,12H2,1-2H3,(H,19,20)
InChIKeyANGUAEGPAMZSBT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds7

About 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide

3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 788801) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID788801
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ccncc2)cc1OCC
InChIInChI=1S/C17H20N2O3/c1-3-21-15-6-5-14(11-16(15)22-4-2)17(20)19-12-13-7-9-18-10-8-13/h5-11H,3-4,12H2,1-2H3,(H,19,20)
InChIKeyANGUAEGPAMZSBT-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piclamilast
CID 154575
Verazide
CID 9574235
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]methyl}-2,8-dimethylnonanamide
CID 10074684
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
3-[2-(4-chlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396258
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
9P7ZX5Bwv8
CID 9904911
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide (CID 788801) is 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide is CCOc1ccc(C(=O)NCc2ccncc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ANGUAEGPAMZSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-21-15-6-5-14(11-16(15)22-4-2)17(20)19-12-13-7-9-18-10-8-13/h5-11H,3-4,12H2,1-2H3,(H,19,20).
What are the key properties of 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide?
3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 788801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).