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

C24H25N3O3S — CID 126568396

IUPAC(E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ccsc1-c1ccncc1/C=C/C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-29-22-9-15-31-24(22)21-8-10-25-16-19(21)4-7-23(28)26-20-5-2-18(3-6-20)17-27-11-13-30-14-12-27/h2-10,15-16H,11-14,17H2,1H3,(H,26,28)/b7-4+
InChIKeyQWTNVNIGNQFBAT-QPJJXVBHSA-N
MW435.55 g/mol
LogP4.30
Rot. Bonds7

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

(E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568396) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568396
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ccsc1-c1ccncc1/C=C/C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-29-22-9-15-31-24(22)21-8-10-25-16-19(21)4-7-23(28)26-20-5-2-18(3-6-20)17-27-11-13-30-14-12-27/h2-10,15-16H,11-14,17H2,1H3,(H,26,28)/b7-4+
InChIKeyQWTNVNIGNQFBAT-QPJJXVBHSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.30
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

N-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]pyridine-4-carboxamide
CID 44180158
N-(4-(5-morpholino-7-oxo-7H-thieno[3,2-b]pyran-3-yl)phenyl)nicotinamide
CID 44180626
(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568894
(E)-3-(3-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1,4]oxazin-2-ylidenemethyl)thiophen-2-yl)-N-(pyridin-4-ylmethyl)acrylamide
CID 25027538
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 16194558
N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]pyridine-4-carboxamide
CID 44180511
(3E,6E)-3-[(5-phenylmethoxy-2-pyridinyl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 5472000
4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19493328
(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 56313188
N-{2-[4-(2-Methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}thiophene-2-carboxamide
CID 3576785
N-{1-[4-(2-Methoxyphenyl)piperazin-1-YL]-1-(thiophen-2-YL)propan-2-YL}-N'-[(pyridin-3-YL)methyl]ethanediamide
CID 20866524
(2E)-N-{[3-methyl-7-(phenoxyacetyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-3-(2-thienyl)acrylamide
CID 42169088

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568396) is (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is COc1ccsc1-c1ccncc1/C=C/C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is QWTNVNIGNQFBAT-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-29-22-9-15-31-24(22)21-8-10-25-16-19(21)4-7-23(28)26-20-5-2-18(3-6-20)17-27-11-13-30-14-12-27/h2-10,15-16H,11-14,17H2,1H3,(H,26,28)/b7-4+.
What are the key properties of (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 435.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).