1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C17H16N4O2 — CID 100673948

IUPAC1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCc1ccc2c(n1)OCCN2C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C17H16N4O2/c1-11-4-5-14-17(20-11)23-8-7-21(14)15(22)9-12-10-19-16-13(12)3-2-6-18-16/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyRMNOUMJAXIVTTQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.23
Rot. Bonds2

About 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 100673948) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID100673948
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCc1ccc2c(n1)OCCN2C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C17H16N4O2/c1-11-4-5-14-17(20-11)23-8-7-21(14)15(22)9-12-10-19-16-13(12)3-2-6-18-16/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyRMNOUMJAXIVTTQ-UHFFFAOYSA-N
XLogP2.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazolidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75504186
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
CID 136520539
1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 119033097
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 53144428
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
3-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529395
2-[4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 120527820
1-(3-morpholin-4-ylsulfonylazetidin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75474099
1-(1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71920972
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 166239499
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 102553989

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 100673948) is 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is Cc1ccc2c(n1)OCCN2C(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is RMNOUMJAXIVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-4-5-14-17(20-11)23-8-7-21(14)15(22)9-12-10-19-16-13(12)3-2-6-18-16/h2-6,10H,7-9H2,1H3,(H,18,19).
What are the key properties of 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 308.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 100673948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).