(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide

C17H17N5O — CID 108861259

IUPAC(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N5O/c1-3-7-22(8-4-2)17(23)14(10-18)11-19-15-6-5-13-12-20-21-16(13)9-15/h3-6,9,11-12,19H,1-2,7-8H2,(H,20,21)/b14-11-
InChIKeySQTJZIFBVHWCSB-KAMYIIQDSA-N
MW307.36 g/mol
LogP2.58
Rot. Bonds7

About (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide

(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 108861259) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID108861259
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N5O/c1-3-7-22(8-4-2)17(23)14(10-18)11-19-15-6-5-13-12-20-21-16(13)9-15/h3-6,9,11-12,19H,1-2,7-8H2,(H,20,21)/b14-11-
InChIKeySQTJZIFBVHWCSB-KAMYIIQDSA-N
XLogP2.58
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)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

(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide
CID 108830446
(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 99899313
(Z)-3-(4-chloroanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861140
(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861275
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108836009
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108855713
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108841591
(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108861168
methyl 2-[[(Z)-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enoyl]amino]benzoate
CID 108851620
(Z)-2-cyano-3-(2-hydroxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861125
(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861312
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 108861259) is (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1.
What is the InChIKey of (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is SQTJZIFBVHWCSB-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-7-22(8-4-2)17(23)14(10-18)11-19-15-6-5-13-12-20-21-16(13)9-15/h3-6,9,11-12,19H,1-2,7-8H2,(H,20,21)/b14-11-.
What are the key properties of (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide?
(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 307.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 108861259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).