2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride

C18H28Cl2N6O — CID 175481213

IUPAC2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride
SMILESCc1nnc(C)n1-c1ccc(NC(=O)C(N)C2CCCCCC2)nc1.Cl.Cl
InChIInChI=1S/C18H26N6O.2ClH/c1-12-22-23-13(2)24(12)15-9-10-16(20-11-15)21-18(25)17(19)14-7-5-3-4-6-8-14;;/h9-11,14,17H,3-8,19H2,1-2H3,(H,20,21,25);2*1H
InChIKeyPQHJNWHFYPHNAS-UHFFFAOYSA-N
MW415.37 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride

2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride (PubChem CID 175481213) has the molecular formula C18H28Cl2N6O and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride
PubChem CID175481213
Molecular FormulaC18H28Cl2N6O
Molecular Weight415.37 g/mol
Exact Mass414.17
IUPAC Name2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride
SMILESCc1nnc(C)n1-c1ccc(NC(=O)C(N)C2CCCCCC2)nc1.Cl.Cl
InChIInChI=1S/C18H26N6O.2ClH/c1-12-22-23-13(2)24(12)15-9-10-16(20-11-15)21-18(25)17(19)14-7-5-3-4-6-8-14;;/h9-11,14,17H,3-8,19H2,1-2H3,(H,20,21,25);2*1H
InChIKeyPQHJNWHFYPHNAS-UHFFFAOYSA-N
XLogP3.36
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride with MolForge

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Related Compounds

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(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
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2-amino-2-cyclohexyl-N-methylacetamide;hydrochloride
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2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride (CID 175481213) is 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride is Cc1nnc(C)n1-c1ccc(NC(=O)C(N)C2CCCCCC2)nc1.Cl.Cl.
What is the InChIKey of 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride?
The InChIKey is PQHJNWHFYPHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O.2ClH/c1-12-22-23-13(2)24(12)15-9-10-16(20-11-15)21-18(25)17(19)14-7-5-3-4-6-8-14;;/h9-11,14,17H,3-8,19H2,1-2H3,(H,20,21,25);2*1H.
What are the key properties of 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride?
2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride is sourced from PubChem (CID 175481213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).