N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide

C16H15N3O — CID 62689712

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
SMILESNCC#Cc1ccccc1NC(=O)Cc1cccnc1
InChIInChI=1S/C16H15N3O/c17-9-3-7-14-6-1-2-8-15(14)19-16(20)11-13-5-4-10-18-12-13/h1-2,4-6,8,10,12H,9,11,17H2,(H,19,20)
InChIKeyVKHFSPSEDYSDAI-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.57
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 62689712) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
PubChem CID62689712
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
SMILESNCC#Cc1ccccc1NC(=O)Cc1cccnc1
InChIInChI=1S/C16H15N3O/c17-9-3-7-14-6-1-2-8-15(14)19-16(20)11-13-5-4-10-18-12-13/h1-2,4-6,8,10,12H,9,11,17H2,(H,19,20)
InChIKeyVKHFSPSEDYSDAI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
CID 116814254
3-(3-aminoprop-1-ynyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 66484263
phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
CID 60813930
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60803080
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide
CID 90626409

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide (CID 62689712) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide is NCC#Cc1ccccc1NC(=O)Cc1cccnc1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is VKHFSPSEDYSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-3-7-14-6-1-2-8-15(14)19-16(20)11-13-5-4-10-18-12-13/h1-2,4-6,8,10,12H,9,11,17H2,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 265.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 62689712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).