1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide

C13H18N2O2 — CID 130371631

IUPAC1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide
SMILESC/C=C\C1=C(/C=C\C)CN(C=O)C(C(N)=O)C1
InChIInChI=1S/C13H18N2O2/c1-3-5-10-7-12(13(14)17)15(9-16)8-11(10)6-4-2/h3-6,9,12H,7-8H2,1-2H3,(H2,14,17)/b5-3-,6-4-
InChIKeyCSLDSRODCCBVST-GLIMQPGKSA-N
MW234.30 g/mol
LogP1.15
Rot. Bonds4

About 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide

1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide (PubChem CID 130371631) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide
PubChem CID130371631
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide
SMILESC/C=C\C1=C(/C=C\C)CN(C=O)C(C(N)=O)C1
InChIInChI=1S/C13H18N2O2/c1-3-5-10-7-12(13(14)17)15(9-16)8-11(10)6-4-2/h3-6,9,12H,7-8H2,1-2H3,(H2,14,17)/b5-3-,6-4-
InChIKeyCSLDSRODCCBVST-GLIMQPGKSA-N
XLogP1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide?
The IUPAC name of 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide (CID 130371631) is 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide.
What is the SMILES notation for 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide?
The canonical SMILES for 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide is C/C=C\C1=C(/C=C\C)CN(C=O)C(C(N)=O)C1.
What is the InChIKey of 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide?
The InChIKey is CSLDSRODCCBVST-GLIMQPGKSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-5-10-7-12(13(14)17)15(9-16)8-11(10)6-4-2/h3-6,9,12H,7-8H2,1-2H3,(H2,14,17)/b5-3-,6-4-.
What are the key properties of 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide?
1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-4,5-bis[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-2-carboxamide is sourced from PubChem (CID 130371631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).