(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

C20H22ClN3O2 — CID 126568380

IUPAC(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cnccc2Cl)ccc1CN1CCOCC1
InChIInChI=1S/C20H22ClN3O2/c1-15-12-18(4-2-17(15)14-24-8-10-26-11-9-24)23-20(25)5-3-16-13-22-7-6-19(16)21/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/b5-3+
InChIKeyNCHJDWNTRWKXHW-HWKANZROSA-N
MW371.87 g/mol
LogP3.53
Rot. Bonds5

About (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568380) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568380
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cnccc2Cl)ccc1CN1CCOCC1
InChIInChI=1S/C20H22ClN3O2/c1-15-12-18(4-2-17(15)14-24-8-10-26-11-9-24)23-20(25)5-3-16-13-22-7-6-19(16)21/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/b5-3+
InChIKeyNCHJDWNTRWKXHW-HWKANZROSA-N
XLogP3.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.53
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)-3-[4-(2,3-dihydro-1H-triazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 146206201
(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568457
(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568570
(E)-3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329617
(E)-3-[4-(1-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide
CID 126568589
4-[(4-chloro-3-pyridinyl)methyl]morpholine
CID 66998174
(E)-3-[4-[3-(2-hydroxyethyl)benzimidazol-5-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329162
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568380) is (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is Cc1cc(NC(=O)/C=C/c2cnccc2Cl)ccc1CN1CCOCC1.
What is the InChIKey of (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is NCHJDWNTRWKXHW-HWKANZROSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-15-12-18(4-2-17(15)14-24-8-10-26-11-9-24)23-20(25)5-3-16-13-22-7-6-19(16)21/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/b5-3+.
What are the key properties of (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 371.87 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).