(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide

C24H19N3O — CID 21209389

IUPAC(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide
SMILESCc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1C
InChIInChI=1S/C24H19N3O/c1-16-22(21-9-5-6-10-23(21)27(16)2)14-19(15-25)24(28)26-20-12-11-17-7-3-4-8-18(17)13-20/h3-14H,1-2H3,(H,26,28)/b19-14-
InChIKeySHARHVXJXNEQSP-RGEXLXHISA-N
MW365.44 g/mol
LogP5.19
Rot. Bonds3

About (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide

(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide (PubChem CID 21209389) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide
PubChem CID21209389
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide
SMILESCc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1C
InChIInChI=1S/C24H19N3O/c1-16-22(21-9-5-6-10-23(21)27(16)2)14-19(15-25)24(28)26-20-12-11-17-7-3-4-8-18(17)13-20/h3-14H,1-2H3,(H,26,28)/b19-14-
InChIKeySHARHVXJXNEQSP-RGEXLXHISA-N
XLogP5.19
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide
CID 7084373
(E)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 1355463
2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-N-naphthalen-2-ylprop-2-enamide
CID 3708250
(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-phenylprop-2-enamide
CID 957118
3-(1-benzyl-2-methylindol-3-yl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 1493469
methyl 4-[3-[2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 2875937
2-cyano-3-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4683629
2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 1269810
(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 18530614
(E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1-ethyl-2-methylindol-3-yl)prop-2-enamide
CID 126385982
(Z)-3-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-(3-methoxyphenyl)prop-2-enamide
CID 19574884
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide (CID 21209389) is (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide is Cc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1C.
What is the InChIKey of (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide?
The InChIKey is SHARHVXJXNEQSP-RGEXLXHISA-N. The full InChI is InChI=1S/C24H19N3O/c1-16-22(21-9-5-6-10-23(21)27(16)2)14-19(15-25)24(28)26-20-12-11-17-7-3-4-8-18(17)13-20/h3-14H,1-2H3,(H,26,28)/b19-14-.
What are the key properties of (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide?
(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide has a molecular weight of 365.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 21209389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).