(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide

C18H21N5O — CID 108830446

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide
SMILESCN(C(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1)C1CCCCC1
InChIInChI=1S/C18H21N5O/c1-23(16-5-3-2-4-6-16)18(24)14(10-19)11-20-15-8-7-13-12-21-22-17(13)9-15/h7-9,11-12,16,20H,2-6H2,1H3,(H,21,22)/b14-11-
InChIKeySUFFQPUOTXYZBV-KAMYIIQDSA-N
MW323.40 g/mol
LogP3.17
Rot. Bonds4

About (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide (PubChem CID 108830446) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide
PubChem CID108830446
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide
SMILESCN(C(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1)C1CCCCC1
InChIInChI=1S/C18H21N5O/c1-23(16-5-3-2-4-6-16)18(24)14(10-19)11-20-15-8-7-13-12-21-22-17(13)9-15/h7-9,11-12,16,20H,2-6H2,1H3,(H,21,22)/b14-11-
InChIKeySUFFQPUOTXYZBV-KAMYIIQDSA-N
XLogP3.17
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide (CID 108830446) is (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide is CN(C(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1)C1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide?
The InChIKey is SUFFQPUOTXYZBV-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23(16-5-3-2-4-6-16)18(24)14(10-19)11-20-15-8-7-13-12-21-22-17(13)9-15/h7-9,11-12,16,20H,2-6H2,1H3,(H,21,22)/b14-11-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide has a molecular weight of 323.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide is sourced from PubChem (CID 108830446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).