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

C16H23N3O — CID 107524648

IUPAC3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H23N3O/c1-13(2)7-3-4-11-19-16(20)15-14(8-5-10-17)9-6-12-18-15/h6,9,12-13H,3-4,7,10-11,17H2,1-2H3,(H,19,20)
InChIKeyRFADAVZNZLNNFJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds6

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

3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide (PubChem CID 107524648) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
PubChem CID107524648
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H23N3O/c1-13(2)7-3-4-11-19-16(20)15-14(8-5-10-17)9-6-12-18-15/h6,9,12-13H,3-4,7,10-11,17H2,1-2H3,(H,19,20)
InChIKeyRFADAVZNZLNNFJ-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)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

3-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106049558
3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 107524732
3-(3-aminoprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342128
3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 107524045
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide (CID 107524648) is 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide is CC(C)CCCCNC(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide?
The InChIKey is RFADAVZNZLNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)7-3-4-11-19-16(20)15-14(8-5-10-17)9-6-12-18-15/h6,9,12-13H,3-4,7,10-11,17H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide is sourced from PubChem (CID 107524648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).