2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide

C19H17N3O2 — CID 14368363

IUPAC2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
SMILESC#CCc1c(C)nc2c(OCc3ccccc3C(N)=O)cccn12
InChIInChI=1S/C19H17N3O2/c1-3-7-16-13(2)21-19-17(10-6-11-22(16)19)24-12-14-8-4-5-9-15(14)18(20)23/h1,4-6,8-11H,7,12H2,2H3,(H2,20,23)
InChIKeyDCIAHBAYARZDOK-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.50
Rot. Bonds5

About 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide

2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide (PubChem CID 14368363) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide.

Molecular Properties

Compound Name2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
PubChem CID14368363
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
SMILESC#CCc1c(C)nc2c(OCc3ccccc3C(N)=O)cccn12
InChIInChI=1S/C19H17N3O2/c1-3-7-16-13(2)21-19-17(10-6-11-22(16)19)24-12-14-8-4-5-9-15(14)18(20)23/h1,4-6,8-11H,7,12H2,2H3,(H2,20,23)
InChIKeyDCIAHBAYARZDOK-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
CID 14368360
8-[(2-methoxyphenyl)methoxy]-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286353
4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368367
2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286354
ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 14368366
N-[4-methyl-3-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]acetamide
CID 14368356
2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 46943561
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
8-[(2-chlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115835
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide?
The IUPAC name of 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide (CID 14368363) is 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide.
What is the SMILES notation for 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide?
The canonical SMILES for 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide is C#CCc1c(C)nc2c(OCc3ccccc3C(N)=O)cccn12.
What is the InChIKey of 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide?
The InChIKey is DCIAHBAYARZDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-7-16-13(2)21-19-17(10-6-11-22(16)19)24-12-14-8-4-5-9-15(14)18(20)23/h1,4-6,8-11H,7,12H2,2H3,(H2,20,23).
What are the key properties of 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide?
2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide is sourced from PubChem (CID 14368363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).