N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide

C20H19N3O — CID 175884330

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
SMILESCc1[nH]nc2cc(C=CC(=O)NC3CCc4ccccc43)ccc12
InChIInChI=1S/C20H19N3O/c1-13-16-9-6-14(12-19(16)23-22-13)7-11-20(24)21-18-10-8-15-4-2-3-5-17(15)18/h2-7,9,11-12,18H,8,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGJNIHTWMMMGFBF-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.69
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide

N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide (PubChem CID 175884330) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
PubChem CID175884330
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
SMILESCc1[nH]nc2cc(C=CC(=O)NC3CCc4ccccc43)ccc12
InChIInChI=1S/C20H19N3O/c1-13-16-9-6-14(12-19(16)23-22-13)7-11-20(24)21-18-10-8-15-4-2-3-5-17(15)18/h2-7,9,11-12,18H,8,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGJNIHTWMMMGFBF-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
CID 162747114
(E)-N-[(3R,4R)-3-methyl-3,4-dihydro-2H-chromen-4-yl]-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
CID 162746986
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51334157
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methylimidazol-1-yl)-3-propoxyphenyl]prop-2-enamide
CID 88997184
(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 168865094
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[3-fluoro-5-methyl-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 58223127
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
(E)-3-[3-but-2-ynoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 59170730

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide (CID 175884330) is N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide is Cc1[nH]nc2cc(C=CC(=O)NC3CCc4ccccc43)ccc12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
The InChIKey is GJNIHTWMMMGFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-16-9-6-14(12-19(16)23-22-13)7-11-20(24)21-18-10-8-15-4-2-3-5-17(15)18/h2-7,9,11-12,18H,8,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide is sourced from PubChem (CID 175884330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).