6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide

C18H28N4O2 — CID 71876136

IUPAC6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCCNC(=O)CC2CCCC2)nc1
InChIInChI=1S/C18H28N4O2/c1-2-9-21-18(24)15-7-8-16(22-13-15)19-10-11-20-17(23)12-14-5-3-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUHKJODSPSVLSSR-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.33
Rot. Bonds9

About 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide

6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide (PubChem CID 71876136) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide
PubChem CID71876136
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCCNC(=O)CC2CCCC2)nc1
InChIInChI=1S/C18H28N4O2/c1-2-9-21-18(24)15-7-8-16(22-13-15)19-10-11-20-17(23)12-14-5-3-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUHKJODSPSVLSSR-UHFFFAOYSA-N
XLogP2.33
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
6-[(2-hydroxycyclopentyl)methylamino]-N-propylpyridine-3-carboxamide
CID 133324037
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-[2-(tert-butylamino)-2-oxoethyl]-6-(propylamino)pyridine-3-carboxamide
CID 115357188
4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119313817
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
6-(ethylamino)-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 25374156
N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
CID 100669857

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide (CID 71876136) is 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NCCNC(=O)CC2CCCC2)nc1.
What is the InChIKey of 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is UHKJODSPSVLSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-9-21-18(24)15-7-8-16(22-13-15)19-10-11-20-17(23)12-14-5-3-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide?
6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 71876136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).