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

C23H23N3O3 — CID 109055063

IUPAC1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-3-2-7-18(21)11-13-25-22(27)19-8-4-9-20(14-19)23(28)26-16-17-6-5-12-24-15-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,25,27)(H,26,28)
InChIKeySCUBMXTYPTWZAO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.99
Rot. Bonds8

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

1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055063) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055063
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-3-2-7-18(21)11-13-25-22(27)19-8-4-9-20(14-19)23(28)26-16-17-6-5-12-24-15-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,25,27)(H,26,28)
InChIKeySCUBMXTYPTWZAO-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

3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-N-(5-chloro-2-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055121
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
1-N-[2-(2-methoxyphenyl)ethyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109055465
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (CID 109055063) is 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is COc1ccccc1CCNC(=O)c1cccc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is SCUBMXTYPTWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-21-10-3-2-7-18(21)11-13-25-22(27)19-8-4-9-20(14-19)23(28)26-16-17-6-5-12-24-15-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-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-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).