(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

C24H25N3O3S — CID 126568894

IUPAC(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+
InChIKeyDXUYKSZGHSMVNI-XBXARRHUSA-N
MW435.55 g/mol
LogP4.30
Rot. Bonds7

About (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568894) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568894
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+
InChIKeyDXUYKSZGHSMVNI-XBXARRHUSA-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

(E)-3-(5-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1,4]oxazin-2-ylidenemethyl)thiophen-2-yl)-N-(pyridin-3-ylmethyl)acrylamide
CID 24783392
(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
4-[4-(4-Methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine
CID 56680584
(3E,6E)-3-[(5-phenylmethoxy-2-pyridinyl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 5472000
3-(3-methoxyphenyl)-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]propanamide
CID 145993664
(E)-3-[4-(3-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568396
N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-5-(4-pyridyl)thiophene-2-carboxamide
CID 22459274
N-[1-[[4-(2-methoxy-3-pyridinyl)thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide
CID 134806279
4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19493328
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 46598543
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 46598897

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568894) is (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is COc1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1.
What is the InChIKey of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is DXUYKSZGHSMVNI-XBXARRHUSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+.
What are the key properties of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(5-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-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).