(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide

C19H21N3O2 — CID 60576829

IUPAC(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O2/c1-15-4-6-16(7-5-15)8-9-18(23)21-17-3-2-10-20-19(17)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)/b9-8+
InChIKeyBWQMDEMPVWKPQB-CMDGGOBGSA-N
MW323.40 g/mol
LogP2.88
Rot. Bonds4

About (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide (PubChem CID 60576829) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
PubChem CID60576829
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O2/c1-15-4-6-16(7-5-15)8-9-18(23)21-17-3-2-10-20-19(17)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)/b9-8+
InChIKeyBWQMDEMPVWKPQB-CMDGGOBGSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60576773
3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 76869548
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4620273
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
CID 166442532

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide (CID 60576829) is (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccnc2N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is BWQMDEMPVWKPQB-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-4-6-16(7-5-15)8-9-18(23)21-17-3-2-10-20-19(17)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)/b9-8+.
What are the key properties of (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 323.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 60576829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).