2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide

C22H22N4O2 — CID 109087124

IUPAC2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C22H22N4O2/c27-21(26-16-19-10-4-5-12-23-19)18-11-14-24-20(15-18)22(28)25-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,25,28)(H,26,27)
InChIKeyJZWPWTOMPZNSKY-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.77
Rot. Bonds8

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

2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087124) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087124
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C22H22N4O2/c27-21(26-16-19-10-4-5-12-23-19)18-11-14-24-20(15-18)22(28)25-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,25,28)(H,26,27)
InChIKeyJZWPWTOMPZNSKY-UHFFFAOYSA-N
XLogP2.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.77
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

4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
4-N-(2,6-difluorophenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087302
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087124) is 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide is O=C(NCc1ccccn1)c1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is JZWPWTOMPZNSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(26-16-19-10-4-5-12-23-19)18-11-14-24-20(15-18)22(28)25-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,25,28)(H,26,27).
What are the key properties of 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).