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

C22H27N3O2 — CID 109081406

IUPAC4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C22H27N3O2/c26-21(25-19-11-5-2-6-12-19)18-13-15-23-20(16-18)22(27)24-14-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,13,15-16,19H,2,5-7,10-12,14H2,(H,24,27)(H,25,26)
InChIKeySQAKMSNWFSKTEJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.51
Rot. Bonds7

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

4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109081406) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109081406
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C22H27N3O2/c26-21(25-19-11-5-2-6-12-19)18-13-15-23-20(16-18)22(27)24-14-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,13,15-16,19H,2,5-7,10-12,14H2,(H,24,27)(H,25,26)
InChIKeySQAKMSNWFSKTEJ-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
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

4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
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
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
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

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109081406) is 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is O=C(NC1CCCCC1)c1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is SQAKMSNWFSKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(25-19-11-5-2-6-12-19)18-13-15-23-20(16-18)22(27)24-14-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,13,15-16,19H,2,5-7,10-12,14H2,(H,24,27)(H,25,26).
What are the key properties of 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).