N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide

C12H17N5O2 — CID 70981898

IUPACN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc2c(n1)n(C)c(=O)n2C
InChIInChI=1S/C12H17N5O2/c1-7(13-2)11(18)15-9-6-5-8-10(14-9)17(4)12(19)16(8)3/h5-7,13H,1-4H3,(H,14,15,18)
InChIKeyMHIUYTGBNFDDCR-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.18
Rot. Bonds3

About N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide (PubChem CID 70981898) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
PubChem CID70981898
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc2c(n1)n(C)c(=O)n2C
InChIInChI=1S/C12H17N5O2/c1-7(13-2)11(18)15-9-6-5-8-10(14-9)17(4)12(19)16(8)3/h5-7,13H,1-4H3,(H,14,15,18)
InChIKeyMHIUYTGBNFDDCR-UHFFFAOYSA-N
XLogP-0.18
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide (CID 70981898) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc2c(n1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
The InChIKey is MHIUYTGBNFDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(13-2)11(18)15-9-6-5-8-10(14-9)17(4)12(19)16(8)3/h5-7,13H,1-4H3,(H,14,15,18).
What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide has a molecular weight of 263.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 70981898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).