2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide

C16H18N2O4 — CID 837993

IUPAC2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C16H18N2O4/c1-20-13-8-15(22-3)14(21-2)7-12(13)16(19)18-10-11-5-4-6-17-9-11/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyJONAILBOUHKZJR-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.04
Rot. Bonds6

About 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide

2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 837993) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID837993
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C16H18N2O4/c1-20-13-8-15(22-3)14(21-2)7-12(13)16(19)18-10-11-5-4-6-17-9-11/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyJONAILBOUHKZJR-UHFFFAOYSA-N
XLogP2.04
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 6498566
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
2,3-dimethoxy-N-pyridin-3-ylbenzamide
CID 849210
2,4,5-Trimethoxy-N-pyridin-4-yl-benzamide
CID 912735
N-[3-(3,4-Dimethoxy-benzoylamino)-propyl]-nicotinamide
CID 6456930
3,4-Dimethoxy-N-(3-pyridinylmethyl)benzamide
CID 597002
N-(3-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide
CID 654053
3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 3767848
3,4-dimethoxy-N-(pyridin-4-yl)benzamide
CID 814761
2-ethyl-6,7-dimethoxy-1-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
CID 3239765
(E)-1-pyridin-3-yl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19553304
3-(Pyridin-3-yl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 44591967

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide (CID 837993) is 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JONAILBOUHKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-13-8-15(22-3)14(21-2)7-12(13)16(19)18-10-11-5-4-6-17-9-11/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide?
2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 302.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 837993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).