(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H17N3O3 — CID 40792448

IUPAC(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@H]1COc2ccccc2O1
InChIInChI=1S/C22H17N3O3/c26-22(18-14-27-16-10-4-5-11-17(16)28-18)24-21-20(15-8-2-1-3-9-15)23-19-12-6-7-13-25(19)21/h1-13,18H,14H2,(H,24,26)/t18-/m1/s1
InChIKeyDBGYSJKVALCENE-GOSISDBHSA-N
MW371.40 g/mol
LogP3.78
Rot. Bonds3

About (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 40792448) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID40792448
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@H]1COc2ccccc2O1
InChIInChI=1S/C22H17N3O3/c26-22(18-14-27-16-10-4-5-11-17(16)28-18)24-21-20(15-8-2-1-3-9-15)23-19-12-6-7-13-25(19)21/h1-13,18H,14H2,(H,24,26)/t18-/m1/s1
InChIKeyDBGYSJKVALCENE-GOSISDBHSA-N
XLogP3.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1084125
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42693744
(3R)-N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7647757
(3S)-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7711337
(3R)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7679425
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 53190725
(3R)-N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 886351
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
2-[3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 119230778
(3R)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 39835415

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 40792448) is (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is DBGYSJKVALCENE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-22(18-14-27-16-10-4-5-11-17(16)28-18)24-21-20(15-8-2-1-3-9-15)23-19-12-6-7-13-25(19)21/h1-13,18H,14H2,(H,24,26)/t18-/m1/s1.
What are the key properties of (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 40792448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).