(E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide

C19H19N5O2 — CID 52683205

IUPAC(E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C/c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C19H19N5O2/c1-14-4-2-3-5-17(14)23-18(25)16(11-20)10-15-12-21-19(22-13-15)24-6-8-26-9-7-24/h2-5,10,12-13H,6-9H2,1H3,(H,23,25)/b16-10+
InChIKeyITRSGLKHTZJTMN-MHWRWJLKSA-N
MW349.39 g/mol
LogP2.17
Rot. Bonds4

About (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide

(E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide (PubChem CID 52683205) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
PubChem CID52683205
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C/c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C19H19N5O2/c1-14-4-2-3-5-17(14)23-18(25)16(11-20)10-15-12-21-19(22-13-15)24-6-8-26-9-7-24/h2-5,10,12-13H,6-9H2,1H3,(H,23,25)/b16-10+
InChIKeyITRSGLKHTZJTMN-MHWRWJLKSA-N
XLogP2.17
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,5-dimethylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 52683225
(E)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 52683211
2-cyano-N-(2,5-dichlorophenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 75900456
N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enamide
CID 75692904
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108821538
(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide
CID 52683223
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 124656174
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylphenyl)prop-2-enamide
CID 6286554
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108821589
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
2-cyano-N-(2-methylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 878232
2-cyano-3-(4-morpholin-4-ylphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 3421130

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide (CID 52683205) is (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide is Cc1ccccc1NC(=O)/C(C#N)=C/c1cnc(N2CCOCC2)nc1.
What is the InChIKey of (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide?
The InChIKey is ITRSGLKHTZJTMN-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-14-4-2-3-5-17(14)23-18(25)16(11-20)10-15-12-21-19(22-13-15)24-6-8-26-9-7-24/h2-5,10,12-13H,6-9H2,1H3,(H,23,25)/b16-10+.
What are the key properties of (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide?
(E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 52683205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).