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

C23H29N3O2 — CID 109089061

IUPAC4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c27-22(26-20-12-6-1-2-7-13-20)19-14-16-24-21(17-19)23(28)25-15-8-11-18-9-4-3-5-10-18/h3-5,9-10,14,16-17,20H,1-2,6-8,11-13,15H2,(H,25,28)(H,26,27)
InChIKeyHOZKUQGTUZEWSZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.90
Rot. Bonds7

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

4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109089061) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109089061
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c27-22(26-20-12-6-1-2-7-13-20)19-14-16-24-21(17-19)23(28)25-15-8-11-18-9-4-3-5-10-18/h3-5,9-10,14,16-17,20H,1-2,6-8,11-13,15H2,(H,25,28)(H,26,27)
InChIKeyHOZKUQGTUZEWSZ-UHFFFAOYSA-N
XLogP3.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.90
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

4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
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-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109089061) is 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is O=C(NC1CCCCCC1)c1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is HOZKUQGTUZEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(26-20-12-6-1-2-7-13-20)19-14-16-24-21(17-19)23(28)25-15-8-11-18-9-4-3-5-10-18/h3-5,9-10,14,16-17,20H,1-2,6-8,11-13,15H2,(H,25,28)(H,26,27).
What are the key properties of 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).