N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

C20H19N3O3 — CID 53149720

IUPACN-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cccnc3)nc2)c1OC
InChIInChI=1S/C20H19N3O3/c1-25-18-7-3-5-15(19(18)26-2)12-23-20(24)16-8-9-17(22-13-16)14-6-4-10-21-11-14/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyHTMNJDHDFKNARJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.09
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 53149720) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
PubChem CID53149720
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cccnc3)nc2)c1OC
InChIInChI=1S/C20H19N3O3/c1-25-18-7-3-5-15(19(18)26-2)12-23-20(24)16-8-9-17(22-13-16)14-6-4-10-21-11-14/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyHTMNJDHDFKNARJ-UHFFFAOYSA-N
XLogP3.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149665
N-[(2,3-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92600926
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53148456
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (CID 53149720) is N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3cccnc3)nc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is HTMNJDHDFKNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-18-7-3-5-15(19(18)26-2)12-23-20(24)16-8-9-17(22-13-16)14-6-4-10-21-11-14/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).