N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide

C20H24N4O — CID 71968002

IUPACN-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NCc2cccc3cn[nH]c23)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C20H24N4O/c1-13-8-9-16(10-17(13)23-19(25)20(2,3)4)21-11-14-6-5-7-15-12-22-24-18(14)15/h5-10,12,21H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNAXWKJUEMKVJMP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.47
Rot. Bonds4

About N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 71968002) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID71968002
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NCc2cccc3cn[nH]c23)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C20H24N4O/c1-13-8-9-16(10-17(13)23-19(25)20(2,3)4)21-11-14-6-5-7-15-12-22-24-18(14)15/h5-10,12,21H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNAXWKJUEMKVJMP-UHFFFAOYSA-N
XLogP4.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 110006658
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
CID 71913375
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
2-hydroxy-N-(1H-indazol-7-yl)-2,2-diphenylacetamide
CID 110885025
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538465
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 71969471
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide
CID 133309510

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide (CID 71968002) is N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NCc2cccc3cn[nH]c23)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is NAXWKJUEMKVJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-8-9-16(10-17(13)23-19(25)20(2,3)4)21-11-14-6-5-7-15-12-22-24-18(14)15/h5-10,12,21H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71968002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).