4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

C23H22FN3O2 — CID 109086345

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C23H22FN3O2/c24-20-11-5-4-10-19(20)16-27-22(28)18-12-14-25-21(15-18)23(29)26-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,26,29)(H,27,28)
InChIKeyCWYXMLAMQPSBFZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.51
Rot. Bonds8

About 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109086345) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109086345
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C23H22FN3O2/c24-20-11-5-4-10-19(20)16-27-22(28)18-12-14-25-21(15-18)23(29)26-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,26,29)(H,27,28)
InChIKeyCWYXMLAMQPSBFZ-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
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
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109086345) is 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is O=C(NCc1ccccc1F)c1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is CWYXMLAMQPSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-20-11-5-4-10-19(20)16-27-22(28)18-12-14-25-21(15-18)23(29)26-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,26,29)(H,27,28).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).