2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide

C18H26N6O — CID 168846549

IUPAC2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
SMILESCc1nnn(C)c1-c1ccc(NC(=O)C(N)C2CCC(C)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-11-4-6-13(7-5-11)16(19)18(25)21-15-9-8-14(10-20-15)17-12(2)22-23-24(17)3/h8-11,13,16H,4-7,19H2,1-3H3,(H,20,21,25)
InChIKeyASQYGSLCTROYTA-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.28
Rot. Bonds4

About 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide

2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide (PubChem CID 168846549) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
PubChem CID168846549
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
SMILESCc1nnn(C)c1-c1ccc(NC(=O)C(N)C2CCC(C)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-11-4-6-13(7-5-11)16(19)18(25)21-15-9-8-14(10-20-15)17-12(2)22-23-24(17)3/h8-11,13,16H,4-7,19H2,1-3H3,(H,20,21,25)
InChIKeyASQYGSLCTROYTA-UHFFFAOYSA-N
XLogP2.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide (CID 168846549) is 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide is Cc1nnn(C)c1-c1ccc(NC(=O)C(N)C2CCC(C)CC2)nc1.
What is the InChIKey of 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?
The InChIKey is ASQYGSLCTROYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-11-4-6-13(7-5-11)16(19)18(25)21-15-9-8-14(10-20-15)17-12(2)22-23-24(17)3/h8-11,13,16H,4-7,19H2,1-3H3,(H,20,21,25).
What are the key properties of 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?
2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 168846549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).