5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide

C15H17N5O — CID 62953000

IUPAC5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccnc1CCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C15H17N5O/c1-20-10-9-17-14(20)6-8-18-15(21)13-5-4-12(11-19-13)3-2-7-16/h4-5,9-11H,6-8,16H2,1H3,(H,18,21)
InChIKeyQWMYRZRDGFVCLR-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.10
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 62953000) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID62953000
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccnc1CCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C15H17N5O/c1-20-10-9-17-14(20)6-8-18-15(21)13-5-4-12(11-19-13)3-2-7-16/h4-5,9-11H,6-8,16H2,1H3,(H,18,21)
InChIKeyQWMYRZRDGFVCLR-UHFFFAOYSA-N
XLogP0.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide 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-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
3-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 66484279
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422382
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342164
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide (CID 62953000) is 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide is Cn1ccnc1CCNC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is QWMYRZRDGFVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20-10-9-17-14(20)6-8-18-15(21)13-5-4-12(11-19-13)3-2-7-16/h4-5,9-11H,6-8,16H2,1H3,(H,18,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62953000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).