N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine

C34H46N6O2 — CID 145338929

IUPACN-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine
SMILESCC(=O)Nc1cc(N)cc(C(C)(C)C)c1.CC1CCC(Oc2ccc3nnc(C(C)(C)N(C)C)n3c2)c2ccccc21
InChIInChI=1S/C22H28N4O.C12H18N2O/c1-15-10-12-19(18-9-7-6-8-17(15)18)27-16-11-13-20-23-24-21(26(20)14-16)22(2,3)25(4)5;1-8(15)14-11-6-9(12(2,3)4)5-10(13)7-11/h6-9,11,13-15,19H,10,12H2,1-5H3;5-7H,13H2,1-4H3,(H,14,15)
InChIKeyHXQRFJUATQHRFH-UHFFFAOYSA-N
MW570.78 g/mol
LogP7.07
Rot. Bonds5

About N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine

N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine (PubChem CID 145338929) has the molecular formula C34H46N6O2 and a molecular weight of 570.78 g/mol. Its IUPAC name is N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine
PubChem CID145338929
Molecular FormulaC34H46N6O2
Molecular Weight570.78 g/mol
Exact Mass570.37
IUPAC NameN-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine
SMILESCC(=O)Nc1cc(N)cc(C(C)(C)C)c1.CC1CCC(Oc2ccc3nnc(C(C)(C)N(C)C)n3c2)c2ccccc21
InChIInChI=1S/C22H28N4O.C12H18N2O/c1-15-10-12-19(18-9-7-6-8-17(15)18)27-16-11-13-20-23-24-21(26(20)14-16)22(2,3)25(4)5;1-8(15)14-11-6-9(12(2,3)4)5-10(13)7-11/h6-9,11,13-15,19H,10,12H2,1-5H3;5-7H,13H2,1-4H3,(H,14,15)
InChIKeyHXQRFJUATQHRFH-UHFFFAOYSA-N
XLogP7.07
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine?
The IUPAC name of N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine (CID 145338929) is N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine?
The canonical SMILES for N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine is CC(=O)Nc1cc(N)cc(C(C)(C)C)c1.CC1CCC(Oc2ccc3nnc(C(C)(C)N(C)C)n3c2)c2ccccc21.
What is the InChIKey of N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine?
The InChIKey is HXQRFJUATQHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.C12H18N2O/c1-15-10-12-19(18-9-7-6-8-17(15)18)27-16-11-13-20-23-24-21(26(20)14-16)22(2,3)25(4)5;1-8(15)14-11-6-9(12(2,3)4)5-10(13)7-11/h6-9,11,13-15,19H,10,12H2,1-5H3;5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine?
N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine has a molecular weight of 570.78 g/mol, XLogP of 7.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-tert-butylphenyl)acetamide;N,N-dimethyl-2-[6-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 145338929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).