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

C15H16N2O3 — CID 597002

IUPAC3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C15H16N2O3/c1-19-13-6-5-12(8-14(13)20-2)15(18)17-10-11-4-3-7-16-9-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyNTAUTXHCDXMQTM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.03
Rot. Bonds5

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

3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 597002) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID597002
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C15H16N2O3/c1-19-13-6-5-12(8-14(13)20-2)15(18)17-10-11-4-3-7-16-9-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyNTAUTXHCDXMQTM-UHFFFAOYSA-N
XLogP2.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 154575
Verazide
CID 9574235
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N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
9P7ZX5Bwv8
CID 9904911
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
ROCK inhibitor-2
CID 51003130
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
CID 2161595
3-Methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
CID 759793

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (CID 597002) is 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cccnc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NTAUTXHCDXMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-6-5-12(8-14(13)20-2)15(18)17-10-11-4-3-7-16-9-11/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 597002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).