2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide

C22H21N3O3 — CID 109088169

IUPAC2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C(=O)Nc3ccccc3)ccn2)c1
InChIInChI=1S/C22H21N3O3/c1-28-19-9-5-6-16(14-19)10-12-24-22(27)20-15-17(11-13-23-20)21(26)25-18-7-3-2-4-8-18/h2-9,11,13-15H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyZYBSIANUZKYMFU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.32
Rot. Bonds7

About 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide

2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109088169) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109088169
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C(=O)Nc3ccccc3)ccn2)c1
InChIInChI=1S/C22H21N3O3/c1-28-19-9-5-6-16(14-19)10-12-24-22(27)20-15-17(11-13-23-20)21(26)25-18-7-3-2-4-8-18/h2-9,11,13-15H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyZYBSIANUZKYMFU-UHFFFAOYSA-N
XLogP3.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089049
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide (CID 109088169) is 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide is COc1cccc(CCNC(=O)c2cc(C(=O)Nc3ccccc3)ccn2)c1.
What is the InChIKey of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is ZYBSIANUZKYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-19-9-5-6-16(14-19)10-12-24-22(27)20-15-17(11-13-23-20)21(26)25-18-7-3-2-4-8-18/h2-9,11,13-15H,10,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).