3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide

C17H14ClN3O2 — CID 85457596

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)C=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C17H14ClN3O2/c1-23-14-7-3-2-6-12(14)19-16(22)10-9-13-17(18)20-15-8-4-5-11-21(13)15/h2-11H,1H3,(H,19,22)
InChIKeySYDNMPXHGBEKSQ-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.65
Rot. Bonds4

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 85457596) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID85457596
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)C=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C17H14ClN3O2/c1-23-14-7-3-2-6-12(14)19-16(22)10-9-13-17(18)20-15-8-4-5-11-21(13)15/h2-11H,1H3,(H,19,22)
InChIKeySYDNMPXHGBEKSQ-UHFFFAOYSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 99140772
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
CID 26264961
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262908
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262904
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 86950286
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 75526011
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide
CID 103599710
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2349298

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide (CID 85457596) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)C=Cc1c(Cl)nc2ccccn12.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is SYDNMPXHGBEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-14-7-3-2-6-12(14)19-16(22)10-9-13-17(18)20-15-8-4-5-11-21(13)15/h2-11H,1H3,(H,19,22).
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 327.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 85457596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).