N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide

C17H19N3O — CID 116649861

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)Cc1cccnc1
InChIInChI=1S/C17H19N3O/c18-14-6-7-15-13(10-14)4-1-5-16(15)20-17(21)9-12-3-2-8-19-11-12/h2-3,6-8,10-11,16H,1,4-5,9,18H2,(H,20,21)
InChIKeyLDOBWOCVEMNJEV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.40
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide (PubChem CID 116649861) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide
PubChem CID116649861
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)Cc1cccnc1
InChIInChI=1S/C17H19N3O/c18-14-6-7-15-13(10-14)4-1-5-16(15)20-17(21)9-12-3-2-8-19-11-12/h2-3,6-8,10-11,16H,1,4-5,9,18H2,(H,20,21)
InChIKeyLDOBWOCVEMNJEV-UHFFFAOYSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride
CID 137081429
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-sulfonamide
CID 116650196
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
CID 45206380
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122081100
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide (CID 116649861) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide is Nc1ccc2c(c1)CCCC2NC(=O)Cc1cccnc1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide?
The InChIKey is LDOBWOCVEMNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-6-7-15-13(10-14)4-1-5-16(15)20-17(21)9-12-3-2-8-19-11-12/h2-3,6-8,10-11,16H,1,4-5,9,18H2,(H,20,21).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide has a molecular weight of 281.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 116649861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).