N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide

C18H18N4O2 — CID 86786549

IUPACN-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C18H18N4O2/c1-18(2,21-16(23)12-7-4-3-5-8-12)17(24)20-14-10-6-9-13-11-19-22-15(13)14/h3-11H,1-2H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyBHQQZVKALILCIF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide

N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 86786549) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide
PubChem CID86786549
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C18H18N4O2/c1-18(2,21-16(23)12-7-4-3-5-8-12)17(24)20-14-10-6-9-13-11-19-22-15(13)14/h3-11H,1-2H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyBHQQZVKALILCIF-UHFFFAOYSA-N
XLogP2.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide 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

2-hydroxy-N-(1H-indazol-7-yl)-2,2-diphenylacetamide
CID 110885025
(Z)-3-(1H-indazol-7-ylamino)-3-methylsulfanyl-1-phenylprop-2-en-1-one
CID 11001367
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
N-(1H-indazol-7-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260102
N-(1H-indazol-7-yl)butanamide
CID 36575526
N-(1H-indazol-7-yl)-3-phenylmethoxybenzamide
CID 34150556
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
3,4-difluoro-N-(1H-indazol-7-yl)benzamide
CID 110473054
N-[3-(1H-indazol-7-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46411479
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide (CID 86786549) is N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1)C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
The InChIKey is BHQQZVKALILCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-18(2,21-16(23)12-7-4-3-5-8-12)17(24)20-14-10-6-9-13-11-19-22-15(13)14/h3-11H,1-2H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indazol-7-ylamino)-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86786549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).