3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide

C16H15N3O — CID 107523440

IUPAC3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O/c17-10-4-8-14-9-5-11-18-15(14)16(20)19-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,10,12,17H2,(H,19,20)
InChIKeyXSEZEEOYFYYRJX-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.32
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide (PubChem CID 107523440) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
PubChem CID107523440
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O/c17-10-4-8-14-9-5-11-18-15(14)16(20)19-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,10,12,17H2,(H,19,20)
InChIKeyXSEZEEOYFYYRJX-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
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-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106406851
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62339830
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 107521456
3-(3-aminoprop-1-ynyl)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 107523498
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
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-butoxypropyl)pyridine-2-carboxamide
CID 107524783
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62340006

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide (CID 107523440) is 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide is NCC#Cc1cccnc1C(=O)NCc1ccccc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide?
The InChIKey is XSEZEEOYFYYRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-4-8-14-9-5-11-18-15(14)16(20)19-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,10,12,17H2,(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 1.32, 3 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-benzylpyridine-2-carboxamide is sourced from PubChem (CID 107523440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).