3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide

C15H21N3O2 — CID 109101794

IUPAC3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCCCC)c1
InChIInChI=1S/C15H21N3O2/c1-3-5-6-8-18-15(20)13-9-12(10-16-11-13)14(19)17-7-4-2/h4,9-11H,2-3,5-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyYLZAUEVGGAUERH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds8

About 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide

3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 109101794) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID109101794
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCCCC)c1
InChIInChI=1S/C15H21N3O2/c1-3-5-6-8-18-15(20)13-9-12(10-16-11-13)14(19)17-7-4-2/h4,9-11H,2-3,5-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyYLZAUEVGGAUERH-UHFFFAOYSA-N
XLogP1.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
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

3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
CID 102336709
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107229
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912

Frequently Asked Questions

What is the IUPAC name of 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 109101794) is 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)NCCCCC)c1.
What is the InChIKey of 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is YLZAUEVGGAUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-5-6-8-18-15(20)13-9-12(10-16-11-13)14(19)17-7-4-2/h4,9-11H,2-3,5-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).