2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide

C13H17N3O — CID 106230667

IUPAC2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H17N3O/c1-3-5-11(4-2)16-13(17)10-6-7-15-12(8-10)9-14/h2,6-8,11H,3,5,9,14H2,1H3,(H,16,17)
InChIKeyDHZKWNVZHUNWLM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.07
Rot. Bonds5

About 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide

2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide (PubChem CID 106230667) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide
PubChem CID106230667
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H17N3O/c1-3-5-11(4-2)16-13(17)10-6-7-15-12(8-10)9-14/h2,6-8,11H,3,5,9,14H2,1H3,(H,16,17)
InChIKeyDHZKWNVZHUNWLM-UHFFFAOYSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-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

ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
3-amino-4-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223471
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide (CID 106230667) is 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide is C#CC(CCC)NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide?
The InChIKey is DHZKWNVZHUNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-5-11(4-2)16-13(17)10-6-7-15-12(8-10)9-14/h2,6-8,11H,3,5,9,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide?
2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 106230667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).