ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C20H24N4O2 — CID 143929581

IUPACethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESC=C(/C=C\C(C=O)=C/C)c1cccn2nc(NC(=O)C3CC3)nc12.CC
InChIInChI=1S/C18H18N4O2.C2H6/c1-3-13(11-23)7-6-12(2)15-5-4-10-22-16(15)19-18(21-22)20-17(24)14-8-9-14;1-2/h3-7,10-11,14H,2,8-9H2,1H3,(H,20,21,24);1-2H3/b7-6-,13-3+;
InChIKeyDHKPOJNQYZNIEZ-HYVVUOPESA-N
MW352.44 g/mol
LogP3.82
Rot. Bonds6

About ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 143929581) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID143929581
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Nameethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESC=C(/C=C\C(C=O)=C/C)c1cccn2nc(NC(=O)C3CC3)nc12.CC
InChIInChI=1S/C18H18N4O2.C2H6/c1-3-13(11-23)7-6-12(2)15-5-4-10-22-16(15)19-18(21-22)20-17(24)14-8-9-14;1-2/h3-7,10-11,14H,2,8-9H2,1H3,(H,20,21,24);1-2H3/b7-6-,13-3+;
InChIKeyDHKPOJNQYZNIEZ-HYVVUOPESA-N
XLogP3.82
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide 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 ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 143929581) is ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is C=C(/C=C\C(C=O)=C/C)c1cccn2nc(NC(=O)C3CC3)nc12.CC.
What is the InChIKey of ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DHKPOJNQYZNIEZ-HYVVUOPESA-N. The full InChI is InChI=1S/C18H18N4O2.C2H6/c1-3-13(11-23)7-6-12(2)15-5-4-10-22-16(15)19-18(21-22)20-17(24)14-8-9-14;1-2/h3-7,10-11,14H,2,8-9H2,1H3,(H,20,21,24);1-2H3/b7-6-,13-3+;.
What are the key properties of ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143929581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).