N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide

C16H15N3O — CID 102821435

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
SMILESNCC#Cc1ccnc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O/c17-9-4-7-14-8-10-18-15(11-14)19-16(20)12-13-5-2-1-3-6-13/h1-3,5-6,8,10-11H,9,12,17H2,(H,18,19,20)
InChIKeyRXYXCFCCCZVMLM-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.57
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 102821435) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
PubChem CID102821435
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
SMILESNCC#Cc1ccnc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O/c17-9-4-7-14-8-10-18-15(11-14)19-16(20)12-13-5-2-1-3-6-13/h1-3,5-6,8,10-11H,9,12,17H2,(H,18,19,20)
InChIKeyRXYXCFCCCZVMLM-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-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209995
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 102820969
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide (CID 102821435) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide is NCC#Cc1ccnc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is RXYXCFCCCZVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-4-7-14-8-10-18-15(11-14)19-16(20)12-13-5-2-1-3-6-13/h1-3,5-6,8,10-11H,9,12,17H2,(H,18,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide 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-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 102821435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).