2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

C23H23N3O3 — CID 109089049

IUPAC2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(=O)NCCCc3ccccc3)ccn2)c1
InChIInChI=1S/C23H23N3O3/c1-29-20-11-5-10-19(16-20)26-23(28)21-15-18(12-14-24-21)22(27)25-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-12,14-16H,6,9,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyLSOPBSGJQWIIKT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.71
Rot. Bonds8

About 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109089049) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109089049
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(=O)NCCCc3ccccc3)ccn2)c1
InChIInChI=1S/C23H23N3O3/c1-29-20-11-5-10-19(16-20)26-23(28)21-15-18(12-14-24-21)22(27)25-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-12,14-16H,6,9,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyLSOPBSGJQWIIKT-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109089049) is 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is COc1cccc(NC(=O)c2cc(C(=O)NCCCc3ccccc3)ccn2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is LSOPBSGJQWIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-20-11-5-10-19(16-20)26-23(28)21-15-18(12-14-24-21)22(27)25-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-12,14-16H,6,9,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).