N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide

C17H16N4O — CID 162527524

IUPACN-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2n[nH]c3cc(NC)ccc23)c1
InChIInChI=1S/C17H16N4O/c1-3-16(22)19-13-6-4-5-11(9-13)17-14-8-7-12(18-2)10-15(14)20-21-17/h3-10,18H,1H2,2H3,(H,19,22)(H,20,21)
InChIKeyBYHVTHCMMRFKTA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.40
Rot. Bonds4

About N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide

N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide (PubChem CID 162527524) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
PubChem CID162527524
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2n[nH]c3cc(NC)ccc23)c1
InChIInChI=1S/C17H16N4O/c1-3-16(22)19-13-6-4-5-11(9-13)17-14-8-7-12(18-2)10-15(14)20-21-17/h3-10,18H,1H2,2H3,(H,19,22)(H,20,21)
InChIKeyBYHVTHCMMRFKTA-UHFFFAOYSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide 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-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
CID 162527290
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
2-fluoro-N-(3-phenyl-1H-indazol-6-yl)benzamide
CID 117073871
N-[3-[3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421842
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide (CID 162527524) is N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2n[nH]c3cc(NC)ccc23)c1.
What is the InChIKey of N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide?
The InChIKey is BYHVTHCMMRFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-16(22)19-13-6-4-5-11(9-13)17-14-8-7-12(18-2)10-15(14)20-21-17/h3-10,18H,1H2,2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide?
N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162527524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).