5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

C17H23N3O — CID 62954357

IUPAC5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(C#CCN)cn2)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-5-8-15(9-6-13)20-17(21)16-10-7-14(12-19-16)4-3-11-18/h7,10,12-13,15H,2,5-6,8-9,11,18H2,1H3,(H,20,21)
InChIKeyHPDMHYDAUJTIIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.09
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 62954357) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
PubChem CID62954357
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(C#CCN)cn2)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-5-8-15(9-6-13)20-17(21)16-10-7-14(12-19-16)4-3-11-18/h7,10,12-13,15H,2,5-6,8-9,11,18H2,1H3,(H,20,21)
InChIKeyHPDMHYDAUJTIIQ-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
CID 62952662
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005388
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
CID 113381877
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 107523986
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
CID 62952482
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62958633

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide (CID 62954357) is 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide is CCC1CCC(NC(=O)c2ccc(C#CCN)cn2)CC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is HPDMHYDAUJTIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-5-8-15(9-6-13)20-17(21)16-10-7-14(12-19-16)4-3-11-18/h7,10,12-13,15H,2,5-6,8-9,11,18H2,1H3,(H,20,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 62954357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).