5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide

C17H17N3O — CID 65309932

IUPAC5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)N(C)c1cccnc1
InChIInChI=1S/C17H17N3O/c1-13-7-8-14(5-3-9-18)11-16(13)17(21)20(2)15-6-4-10-19-12-15/h4,6-8,10-12H,9,18H2,1-2H3
InChIKeyKCEYXILIXUFCMI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.98
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide

5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide (PubChem CID 65309932) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
PubChem CID65309932
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)N(C)c1cccnc1
InChIInChI=1S/C17H17N3O/c1-13-7-8-14(5-3-9-18)11-16(13)17(21)20(2)15-6-4-10-19-12-15/h4,6-8,10-12H,9,18H2,1-2H3
InChIKeyKCEYXILIXUFCMI-UHFFFAOYSA-N
XLogP1.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
CID 65311356
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
CID 79482914
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-pyridin-3-ylbenzamide
CID 81112487
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102868159
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 60822533
3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 107872797
5-(3-aminoprop-1-ynyl)-N-(2-cyanopropyl)-N-ethyl-2-methylbenzamide
CID 65310437
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
CID 113236277
4-hydrazinyl-N,6-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81249779

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide (CID 65309932) is 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide is Cc1ccc(C#CCN)cc1C(=O)N(C)c1cccnc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide?
The InChIKey is KCEYXILIXUFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-7-8-14(5-3-9-18)11-16(13)17(21)20(2)15-6-4-10-19-12-15/h4,6-8,10-12H,9,18H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide?
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 65309932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).