acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene

C23H32N4O3S — CID 143488117

IUPACacetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene
SMILESC#C.CC/C=C\COC.[H]/N=C/N(/C=C/C)C(=O)c1cc2c(NCCOC)ccnc2s1
InChIInChI=1S/C15H18N4O2S.C6H12O.C2H2/c1-3-7-19(10-16)15(20)13-9-11-12(17-6-8-21-2)4-5-18-14(11)22-13;1-3-4-5-6-7-2;1-2/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,17,18);4-5H,3,6H2,1-2H3;1-2H/b7-3+,16-10+;5-4-;
InChIKeyQORSSFNUDUPDTQ-RFXPTHDMSA-N
MW444.60 g/mol
LogP4.79
Rot. Bonds10

About acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene

acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene (PubChem CID 143488117) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene.

Molecular Properties

Compound Nameacetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene
PubChem CID143488117
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Nameacetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene
SMILESC#C.CC/C=C\COC.[H]/N=C/N(/C=C/C)C(=O)c1cc2c(NCCOC)ccnc2s1
InChIInChI=1S/C15H18N4O2S.C6H12O.C2H2/c1-3-7-19(10-16)15(20)13-9-11-12(17-6-8-21-2)4-5-18-14(11)22-13;1-3-4-5-6-7-2;1-2/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,17,18);4-5H,3,6H2,1-2H3;1-2H/b7-3+,16-10+;5-4-;
InChIKeyQORSSFNUDUPDTQ-RFXPTHDMSA-N
XLogP4.79
TPSA87.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene with MolForge

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Related Compounds

N-[(E)-but-2-en-2-yl]-4-[2-(dimethylamino)ethylamino]-N-methanimidoylthieno[2,3-b]pyridine-2-carboxamide
CID 143160569
4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 143159947
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
CID 113405769
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide
CID 119384520
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
CID 168952712
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637

Frequently Asked Questions

What is the IUPAC name of acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene?
The IUPAC name of acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene (CID 143488117) is acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene.
What is the SMILES notation for acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene?
The canonical SMILES for acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene is C#C.CC/C=C\COC.[H]/N=C/N(/C=C/C)C(=O)c1cc2c(NCCOC)ccnc2s1.
What is the InChIKey of acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene?
The InChIKey is QORSSFNUDUPDTQ-RFXPTHDMSA-N. The full InChI is InChI=1S/C15H18N4O2S.C6H12O.C2H2/c1-3-7-19(10-16)15(20)13-9-11-12(17-6-8-21-2)4-5-18-14(11)22-13;1-3-4-5-6-7-2;1-2/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,17,18);4-5H,3,6H2,1-2H3;1-2H/b7-3+,16-10+;5-4-;.
What are the key properties of acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene?
acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene has a molecular weight of 444.60 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene is sourced from PubChem (CID 143488117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).