3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide

C16H15N3O — CID 60821779

IUPAC3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#CCN)c2)nc1
InChIInChI=1S/C16H15N3O/c1-12-7-8-15(18-11-12)19-16(20)14-6-2-4-13(10-14)5-3-9-17/h2,4,6-8,10-11H,9,17H2,1H3,(H,18,19,20)
InChIKeyLXCMGASPPJQJFJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.95
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide

3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 60821779) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID60821779
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#CCN)c2)nc1
InChIInChI=1S/C16H15N3O/c1-12-7-8-15(18-11-12)19-16(20)14-6-2-4-13(10-14)5-3-9-17/h2,4,6-8,10-11H,9,17H2,1H3,(H,18,19,20)
InChIKeyLXCMGASPPJQJFJ-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.95
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-(2-chloro-5-methylphenyl)benzamide
CID 107629755
3-(3-aminoprop-1-ynyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79046247
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107523796
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 60820716
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
3-(3-aminoprop-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60822281
3-(3-aminoprop-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389091
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
3-(3-aminoprop-1-ynyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 60821177
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 35344360

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide (CID 60821779) is 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cccc(C#CCN)c2)nc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is LXCMGASPPJQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-7-8-15(18-11-12)19-16(20)14-6-2-4-13(10-14)5-3-9-17/h2,4,6-8,10-11H,9,17H2,1H3,(H,18,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide?
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 265.32 g/mol, XLogP of 1.95, 2 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-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 60821779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).