4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide

C23H23N3O3 — CID 109085295

IUPAC4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-6-5-9-18(21)11-14-25-23(28)20-15-19(12-13-24-20)22(27)26-16-17-7-3-2-4-8-17/h2-10,12-13,15H,11,14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyDUBPACUJKOUZNY-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.99
Rot. Bonds8

About 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide

4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109085295) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109085295
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-6-5-9-18(21)11-14-25-23(28)20-15-19(12-13-24-20)22(27)26-16-17-7-3-2-4-8-17/h2-10,12-13,15H,11,14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyDUBPACUJKOUZNY-UHFFFAOYSA-N
XLogP2.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
2-N,2-N-diethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088102
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988
2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083280

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109085295) is 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide is COc1ccccc1CCNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is DUBPACUJKOUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-21-10-6-5-9-18(21)11-14-25-23(28)20-15-19(12-13-24-20)22(27)26-16-17-7-3-2-4-8-17/h2-10,12-13,15H,11,14,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).