2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

C19H21N3O2 — CID 109078863

IUPAC2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-2-11-21-18(23)16-10-13-20-17(14-16)19(24)22-12-6-9-15-7-4-3-5-8-15/h2-5,7-8,10,13-14H,1,6,9,11-12H2,(H,21,23)(H,22,24)
InChIKeySDSZVWRSRUUTBM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.36
Rot. Bonds8

About 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109078863) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109078863
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-2-11-21-18(23)16-10-13-20-17(14-16)19(24)22-12-6-9-15-7-4-3-5-8-15/h2-5,7-8,10,13-14H,1,6,9,11-12H2,(H,21,23)(H,22,24)
InChIKeySDSZVWRSRUUTBM-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
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-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202307
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109078863) is 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is SDSZVWRSRUUTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-11-21-18(23)16-10-13-20-17(14-16)19(24)22-12-6-9-15-7-4-3-5-8-15/h2-5,7-8,10,13-14H,1,6,9,11-12H2,(H,21,23)(H,22,24).
What are the key properties of 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).