(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide

C22H18N4O2 — CID 108849707

IUPAC(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H18N4O2/c1-16-6-5-9-21(25-16)24-15-17(14-23)22(27)26-18-10-12-20(13-11-18)28-19-7-3-2-4-8-19/h2-13,15H,1H3,(H,24,25)(H,26,27)/b17-15-
InChIKeyZQXJRFRJZXTSHQ-ICFOKQHNSA-N
MW370.41 g/mol
LogP4.64
Rot. Bonds6

About (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide

(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 108849707) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID108849707
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H18N4O2/c1-16-6-5-9-21(25-16)24-15-17(14-23)22(27)26-18-10-12-20(13-11-18)28-19-7-3-2-4-8-19/h2-13,15H,1H3,(H,24,25)(H,26,27)/b17-15-
InChIKeyZQXJRFRJZXTSHQ-ICFOKQHNSA-N
XLogP4.64
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-N-(4-chlorophenyl)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108860839
(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
(Z)-2-cyano-3-(2,6-dimethylanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849808
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
CID 108827325
(Z)-2-cyano-N-(4-phenoxyphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108849610
(Z)-3-(4-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849624
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849625
(Z)-3-[(4-bromo-2-pyridinyl)amino]-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849871
(Z)-2-cyano-3-(3-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849791
(Z)-2-cyano-3-(2-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849665
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849513
methyl 2-[[(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoyl]amino]benzoate
CID 108851572

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide (CID 108849707) is (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide is Cc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is ZQXJRFRJZXTSHQ-ICFOKQHNSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-16-6-5-9-21(25-16)24-15-17(14-23)22(27)26-18-10-12-20(13-11-18)28-19-7-3-2-4-8-19/h2-13,15H,1H3,(H,24,25)(H,26,27)/b17-15-.
What are the key properties of (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 370.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 108849707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).