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

C17H16N4O2 — CID 108843479

IUPAC(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
SMILESCc1ccnc(N/C=C(/C#N)C(=O)Nc2ccc(O)cc2C)c1
InChIInChI=1S/C17H16N4O2/c1-11-5-6-19-16(7-11)20-10-13(9-18)17(23)21-15-4-3-14(22)8-12(15)2/h3-8,10,22H,1-2H3,(H,19,20)(H,21,23)/b13-10-
InChIKeyWXZPVIYJZQXASI-RAXLEYEMSA-N
MW308.34 g/mol
LogP2.86
Rot. Bonds4

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

(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide (PubChem CID 108843479) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
PubChem CID108843479
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
SMILESCc1ccnc(N/C=C(/C#N)C(=O)Nc2ccc(O)cc2C)c1
InChIInChI=1S/C17H16N4O2/c1-11-5-6-19-16(7-11)20-10-13(9-18)17(23)21-15-4-3-14(22)8-12(15)2/h3-8,10,22H,1-2H3,(H,19,20)(H,21,23)/b13-10-
InChIKeyWXZPVIYJZQXASI-RAXLEYEMSA-N
XLogP2.86
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108821570
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108859805
4-[[(Z)-2-cyano-3-[(4-methyl-2-pyridinyl)amino]prop-2-enoyl]amino]benzoic acid
CID 108823435
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108828646
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108857888
(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858158
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 82109222
(Z)-3-(4-anilinoanilino)-2-cyano-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843368
(Z)-3-(3-chloropropylamino)-2-cyano-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843281
(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108843394
(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108843376
(Z)-3-[(4-bromo-2-pyridinyl)amino]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857694

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide (CID 108843479) is (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide is Cc1ccnc(N/C=C(/C#N)C(=O)Nc2ccc(O)cc2C)c1.
What is the InChIKey of (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The InChIKey is WXZPVIYJZQXASI-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-5-6-19-16(7-11)20-10-13(9-18)17(23)21-15-4-3-14(22)8-12(15)2/h3-8,10,22H,1-2H3,(H,19,20)(H,21,23)/b13-10-.
What are the key properties of (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide is sourced from PubChem (CID 108843479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).