6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

C22H22N4O2 — CID 109098263

IUPAC6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C22H22N4O2/c1-3-17-9-4-7-15(2)20(17)26-22(28)19-11-5-10-18(25-19)21(27)24-14-16-8-6-12-23-13-16/h4-13H,3,14H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyALVMVZRWAGVENO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.53
Rot. Bonds6

About 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098263) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098263
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C22H22N4O2/c1-3-17-9-4-7-15(2)20(17)26-22(28)19-11-5-10-18(25-19)21(27)24-14-16-8-6-12-23-13-16/h4-13H,3,14H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyALVMVZRWAGVENO-UHFFFAOYSA-N
XLogP3.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663
6-N-(2-ethyl-6-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098447
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
6-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100636

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098263) is 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is ALVMVZRWAGVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-17-9-4-7-15(2)20(17)26-22(28)19-11-5-10-18(25-19)21(27)24-14-16-8-6-12-23-13-16/h4-13H,3,14H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).