N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene

C36H56N4O2S — CID 165143420

IUPACN-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
SMILESC/C=C(\C)C(=O)N1CCc2c(C(=O)NC(/C=C(\N)C(C)(C)C)=N\CC)csc2C1.CCC(C)=C(C)/C=C\C=C/C(C)CC
InChIInChI=1S/C22H32N4O2S.C14H24/c1-7-14(3)21(28)26-10-9-15-16(13-29-17(15)12-26)20(27)25-19(24-8-2)11-18(23)22(4,5)6;1-6-12(3)10-8-9-11-14(5)13(4)7-2/h7,11,13H,8-10,12,23H2,1-6H3,(H,24,25,27);8-12H,6-7H2,1-5H3/b14-7+,18-11-;10-8-,11-9-,14-13?
InChIKeyQLQMQVFLQFWWAF-XEEDZNBTSA-N
MW608.94 g/mol
LogP8.53
Rot. Bonds9

About N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene

N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene (PubChem CID 165143420) has the molecular formula C36H56N4O2S and a molecular weight of 608.94 g/mol. Its IUPAC name is N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene.

Molecular Properties

Compound NameN-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
PubChem CID165143420
Molecular FormulaC36H56N4O2S
Molecular Weight608.94 g/mol
Exact Mass608.41
IUPAC NameN-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
SMILESC/C=C(\C)C(=O)N1CCc2c(C(=O)NC(/C=C(\N)C(C)(C)C)=N\CC)csc2C1.CCC(C)=C(C)/C=C\C=C/C(C)CC
InChIInChI=1S/C22H32N4O2S.C14H24/c1-7-14(3)21(28)26-10-9-15-16(13-29-17(15)12-26)20(27)25-19(24-8-2)11-18(23)22(4,5)6;1-6-12(3)10-8-9-11-14(5)13(4)7-2/h7,11,13H,8-10,12,23H2,1-6H3,(H,24,25,27);8-12H,6-7H2,1-5H3/b14-7+,18-11-;10-8-,11-9-,14-13?
InChIKeyQLQMQVFLQFWWAF-XEEDZNBTSA-N
XLogP8.53
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.94
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
The IUPAC name of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene (CID 165143420) is N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene.
What is the SMILES notation for N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
The canonical SMILES for N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene is C/C=C(\C)C(=O)N1CCc2c(C(=O)NC(/C=C(\N)C(C)(C)C)=N\CC)csc2C1.CCC(C)=C(C)/C=C\C=C/C(C)CC.
What is the InChIKey of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
The InChIKey is QLQMQVFLQFWWAF-XEEDZNBTSA-N. The full InChI is InChI=1S/C22H32N4O2S.C14H24/c1-7-14(3)21(28)26-10-9-15-16(13-29-17(15)12-26)20(27)25-19(24-8-2)11-18(23)22(4,5)6;1-6-12(3)10-8-9-11-14(5)13(4)7-2/h7,11,13H,8-10,12,23H2,1-6H3,(H,24,25,27);8-12H,6-7H2,1-5H3/b14-7+,18-11-;10-8-,11-9-,14-13?.
What are the key properties of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene has a molecular weight of 608.94 g/mol, XLogP of 8.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene is sourced from PubChem (CID 165143420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).