(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide

C14H11N3O2 — CID 173270130

IUPAC(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
SMILESO=C/C(=C\c1ccccn1)C(=O)Nc1ccccn1
InChIInChI=1S/C14H11N3O2/c18-10-11(9-12-5-1-3-7-15-12)14(19)17-13-6-2-4-8-16-13/h1-10H,(H,16,17,19)/b11-9+
InChIKeyKHRVAMYVUSPMTQ-PKNBQFBNSA-N
MW253.26 g/mol
LogP1.70
Rot. Bonds4

About (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide

(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide (PubChem CID 173270130) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
PubChem CID173270130
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
SMILESO=C/C(=C\c1ccccn1)C(=O)Nc1ccccn1
InChIInChI=1S/C14H11N3O2/c18-10-11(9-12-5-1-3-7-15-12)14(19)17-13-6-2-4-8-16-13/h1-10H,(H,16,17,19)/b11-9+
InChIKeyKHRVAMYVUSPMTQ-PKNBQFBNSA-N
XLogP1.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
CID 173269865
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 54365611
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-oxo-4-(pyridin-2-ylamino)but-2-enoate
CID 4624953
2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
CID 154274407
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N-(3-formamidopropyl)-N'-pyridin-2-yloxamide
CID 108525918
2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
CID 11372587

Frequently Asked Questions

What is the IUPAC name of (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide (CID 173270130) is (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide is O=C/C(=C\c1ccccn1)C(=O)Nc1ccccn1.
What is the InChIKey of (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide?
The InChIKey is KHRVAMYVUSPMTQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-10-11(9-12-5-1-3-7-15-12)14(19)17-13-6-2-4-8-16-13/h1-10H,(H,16,17,19)/b11-9+.
What are the key properties of (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide?
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide has a molecular weight of 253.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide is sourced from PubChem (CID 173270130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).