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

C14H14BrN3O — CID 94195880

IUPAC(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C14H14BrN3O/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-
InChIKeyDNEGMCKRXUMEFA-IAROGAJJSA-N
MW320.19 g/mol
LogP2.85
Rot. Bonds4

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

(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide (PubChem CID 94195880) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
PubChem CID94195880
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C14H14BrN3O/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-
InChIKeyDNEGMCKRXUMEFA-IAROGAJJSA-N
XLogP2.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.85
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

(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 47151007
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55977975
(E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enamide
CID 98913126
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530333
(2R)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-ethoxyethoxy)propanamide
CID 52531312

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide (CID 94195880) is (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide is C/C=C/C=C\C(=O)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
The InChIKey is DNEGMCKRXUMEFA-IAROGAJJSA-N. The full InChI is InChI=1S/C14H14BrN3O/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 (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide?
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide has a molecular weight of 320.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide is sourced from PubChem (CID 94195880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).