(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C21H21N5O2 — CID 60576773

IUPAC(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C21H21N5O2/c27-20(9-8-17-15-23-26(16-17)18-5-2-1-3-6-18)24-19-7-4-10-22-21(19)25-11-13-28-14-12-25/h1-10,15-16H,11-14H2,(H,24,27)/b9-8+
InChIKeySYHAOBZQZVULCZ-CMDGGOBGSA-N
MW375.43 g/mol
LogP2.76
Rot. Bonds5

About (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 60576773) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID60576773
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C21H21N5O2/c27-20(9-8-17-15-23-26(16-17)18-5-2-1-3-6-18)24-19-7-4-10-22-21(19)25-11-13-28-14-12-25/h1-10,15-16H,11-14H2,(H,24,27)/b9-8+
InChIKeySYHAOBZQZVULCZ-CMDGGOBGSA-N
XLogP2.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576829
(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30885025
3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 76869548
(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46627854
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55519710
N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
CID 98931509
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576653
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34759044
(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55560332
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 60576773) is (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccnc1N1CCOCC1.
What is the InChIKey of (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is SYHAOBZQZVULCZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(9-8-17-15-23-26(16-17)18-5-2-1-3-6-18)24-19-7-4-10-22-21(19)25-11-13-28-14-12-25/h1-10,15-16H,11-14H2,(H,24,27)/b9-8+.
What are the key properties of (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 375.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 60576773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).