N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

C17H20ClN3O — CID 119515915

IUPACN-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CC2CCCc3ccccc32)cn1
InChIInChI=1S/C17H19N3O.ClH/c18-16-9-8-14(11-19-16)20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13;/h1-2,4,7-9,11,13H,3,5-6,10H2,(H2,18,19)(H,20,21);1H
InChIKeyMQYSVQXFHRQIIK-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.53
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (PubChem CID 119515915) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
PubChem CID119515915
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CC2CCCc3ccccc32)cn1
InChIInChI=1S/C17H19N3O.ClH/c18-16-9-8-14(11-19-16)20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13;/h1-2,4,7-9,11,13H,3,5-6,10H2,(H2,18,19)(H,20,21);1H
InChIKeyMQYSVQXFHRQIIK-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (CID 119515915) is N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is Cl.Nc1ccc(NC(=O)CC2CCCc3ccccc32)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The InChIKey is MQYSVQXFHRQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c18-16-9-8-14(11-19-16)20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13;/h1-2,4,7-9,11,13H,3,5-6,10H2,(H2,18,19)(H,20,21);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119515915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).