3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide

C17H23N3O — CID 66482895

IUPAC3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1C#CCN)C1CCCCCC1
InChIInChI=1S/C17H23N3O/c1-20(15-8-4-2-3-5-9-15)17(21)16-10-12-19-13-14(16)7-6-11-18/h10,12-13,15H,2-5,8-9,11,18H2,1H3
InChIKeyUQNDCTCZBCUETM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.19
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide (PubChem CID 66482895) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
PubChem CID66482895
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1C#CCN)C1CCCCCC1
InChIInChI=1S/C17H23N3O/c1-20(15-8-4-2-3-5-9-15)17(21)16-10-12-19-13-14(16)7-6-11-18/h10,12-13,15H,2-5,8-9,11,18H2,1H3
InChIKeyUQNDCTCZBCUETM-UHFFFAOYSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 66482509
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-4-carboxamide
CID 107400585
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 66483437
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484447
3-(3-aminoprop-1-ynyl)-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104553614
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 115561134
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide (CID 66482895) is 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1C#CCN)C1CCCCCC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide?
The InChIKey is UQNDCTCZBCUETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(15-8-4-2-3-5-9-15)17(21)16-10-12-19-13-14(16)7-6-11-18/h10,12-13,15H,2-5,8-9,11,18H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66482895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).