2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide

C23H23N3O3 — CID 109098650

IUPAC2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C23H23N3O3/c1-26(18-9-4-3-5-10-18)23(28)21-13-7-12-20(25-21)22(27)24-15-14-17-8-6-11-19(16-17)29-2/h3-13,16H,14-15H2,1-2H3,(H,24,27)
InChIKeyZBXOOKVSCRLRIE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.34
Rot. Bonds7

About 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide

2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide (PubChem CID 109098650) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
PubChem CID109098650
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C23H23N3O3/c1-26(18-9-4-3-5-10-18)23(28)21-13-7-12-20(25-21)22(27)24-15-14-17-8-6-11-19(16-17)29-2/h3-13,16H,14-15H2,1-2H3,(H,24,27)
InChIKeyZBXOOKVSCRLRIE-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
6-N-butyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109098641
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
CID 109025650
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide (CID 109098650) is 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide is COc1cccc(CCNC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)c1.
What is the InChIKey of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide?
The InChIKey is ZBXOOKVSCRLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(18-9-4-3-5-10-18)23(28)21-13-7-12-20(25-21)22(27)24-15-14-17-8-6-11-19(16-17)29-2/h3-13,16H,14-15H2,1-2H3,(H,24,27).
What are the key properties of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide?
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).