N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide

C21H22N4O — CID 97006459

IUPACN-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1
InChIInChI=1S/C21H22N4O/c1-15-6-7-16(13-23-15)12-20(26)24-21-18-5-3-2-4-17(18)8-9-19(21)25-11-10-22-14-25/h2-7,10-11,13-14,19,21H,8-9,12H2,1H3,(H,24,26)/t19-,21-/m1/s1
InChIKeyDUGLADATTYSLFZ-TZIWHRDSSA-N
MW346.43 g/mol
LogP3.17
Rot. Bonds4

About N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide

N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 97006459) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID97006459
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1
InChIInChI=1S/C21H22N4O/c1-15-6-7-16(13-23-15)12-20(26)24-21-18-5-3-2-4-17(18)8-9-19(21)25-11-10-22-14-25/h2-7,10-11,13-14,19,21H,8-9,12H2,1H3,(H,24,26)/t19-,21-/m1/s1
InChIKeyDUGLADATTYSLFZ-TZIWHRDSSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide 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-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide (CID 97006459) is N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1.
What is the InChIKey of N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is DUGLADATTYSLFZ-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-6-7-16(13-23-15)12-20(26)24-21-18-5-3-2-4-17(18)8-9-19(21)25-11-10-22-14-25/h2-7,10-11,13-14,19,21H,8-9,12H2,1H3,(H,24,26)/t19-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 97006459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).