(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide

C14H14ClN3O — CID 47151007

IUPAC(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H14ClN3O/c1-2-3-4-5-14(19)16-8-12-10-18-9-11(15)6-7-13(18)17-12/h2-7,9-10H,8H2,1H3,(H,16,19)/b3-2+,5-4+
InChIKeyWHCUFASLUPAEQM-MQQKCMAXSA-N
MW275.74 g/mol
LogP2.74
Rot. Bonds4

About (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide

(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide (PubChem CID 47151007) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
PubChem CID47151007
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H14ClN3O/c1-2-3-4-5-14(19)16-8-12-10-18-9-11(15)6-7-13(18)17-12/h2-7,9-10H,8H2,1H3,(H,16,19)/b3-2+,5-4+
InChIKeyWHCUFASLUPAEQM-MQQKCMAXSA-N
XLogP2.74
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
CID 78998419
2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47882821
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N,N-dimethylpropanamide
CID 78959550
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide (CID 47151007) is (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
The InChIKey is WHCUFASLUPAEQM-MQQKCMAXSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-2-3-4-5-14(19)16-8-12-10-18-9-11(15)6-7-13(18)17-12/h2-7,9-10H,8H2,1H3,(H,16,19)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide has a molecular weight of 275.74 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide is sourced from PubChem (CID 47151007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).