(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide

C16H13N3O2 — CID 82109222

IUPAC(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccnc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1
InChIInChI=1S/C16H13N3O2/c1-11-6-7-18-15(8-11)19-16(21)13(10-17)9-12-2-4-14(20)5-3-12/h2-9,20H,1H3,(H,18,19,21)/b13-9+
InChIKeyOHRJJUFPCGRSTK-UKTHLTGXSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds3

About (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide

(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 82109222) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
PubChem CID82109222
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccnc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1
InChIInChI=1S/C16H13N3O2/c1-11-6-7-18-15(8-11)19-16(21)13(10-17)9-12-2-4-14(20)5-3-12/h2-9,20H,1H3,(H,18,19,21)/b13-9+
InChIKeyOHRJJUFPCGRSTK-UKTHLTGXSA-N
XLogP2.64
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.64
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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Related Compounds

(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108843479
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 3336662
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 7515839
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108821570
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
4-[[(Z)-2-cyano-3-[(4-methyl-2-pyridinyl)amino]prop-2-enoyl]amino]benzoic acid
CID 108823435
(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 21206054
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108828646
(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide
CID 82110838
(E)-2-cyano-N-(hydroxymethyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 58602281

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (CID 82109222) is (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is Cc1ccnc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1.
What is the InChIKey of (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is OHRJJUFPCGRSTK-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-7-18-15(8-11)19-16(21)13(10-17)9-12-2-4-14(20)5-3-12/h2-9,20H,1H3,(H,18,19,21)/b13-9+.
What are the key properties of (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 279.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 82109222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).