1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

C23H23N3O3 — CID 109054965

IUPAC1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-8-17(9-11-21)12-14-25-22(27)18-5-4-6-19(15-18)23(28)26-16-20-7-2-3-13-24-20/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNLDKZKSMKSDABP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.99
Rot. Bonds8

About 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109054965) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109054965
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-8-17(9-11-21)12-14-25-22(27)18-5-4-6-19(15-18)23(28)26-16-20-7-2-3-13-24-20/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNLDKZKSMKSDABP-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

1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370720
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969434
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109054965) is 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide is COc1ccc(CCNC(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1.
What is the InChIKey of 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is NLDKZKSMKSDABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-21-10-8-17(9-11-21)12-14-25-22(27)18-5-4-6-19(15-18)23(28)26-16-20-7-2-3-13-24-20/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-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 1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).