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

C12H17N5O — CID 62637301

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C12H17N5O/c1-7-10-5-9(15-12(18)8(2)13-3)6-14-11(10)17(4)16-7/h5-6,8,13H,1-4H3,(H,15,18)
InChIKeyTZTMSJBEQCEABN-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.82
Rot. Bonds3

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

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide (PubChem CID 62637301) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
PubChem CID62637301
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C12H17N5O/c1-7-10-5-9(15-12(18)8(2)13-3)6-14-11(10)17(4)16-7/h5-6,8,13H,1-4H3,(H,15,18)
InChIKeyTZTMSJBEQCEABN-UHFFFAOYSA-N
XLogP0.82
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
CID 76887987
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylpentanamide
CID 104684058
2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 65225358
3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
CID 64896286
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 31520227
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylcyclopentane-1-carboxamide
CID 134042789
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 86993906

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide (CID 62637301) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide?
The InChIKey is TZTMSJBEQCEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-10-5-9(15-12(18)8(2)13-3)6-14-11(10)17(4)16-7/h5-6,8,13H,1-4H3,(H,15,18).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 62637301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).