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

C13H19N5O — CID 65225358

IUPAC2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H19N5O/c1-4-9(6-14)13(19)16-10-5-11-8(2)17-18(3)12(11)15-7-10/h5,7,9H,4,6,14H2,1-3H3,(H,16,19)
InChIKeyDCGFMBMCUPCQRQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.20
Rot. Bonds4

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

2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide (PubChem CID 65225358) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
PubChem CID65225358
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H19N5O/c1-4-9(6-14)13(19)16-10-5-11-8(2)17-18(3)12(11)15-7-10/h5,7,9H,4,6,14H2,1-3H3,(H,16,19)
InChIKeyDCGFMBMCUPCQRQ-UHFFFAOYSA-N
XLogP1.20
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylpentanamide
CID 104684058
3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
CID 64896286
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
CID 76887987
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 62637301
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 81171959
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-2,2-dimethylpropanamide
CID 86993902

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide (CID 65225358) is 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide is CCC(CN)C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The InChIKey is DCGFMBMCUPCQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-9(6-14)13(19)16-10-5-11-8(2)17-18(3)12(11)15-7-10/h5,7,9H,4,6,14H2,1-3H3,(H,16,19).
What are the key properties of 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide has a molecular weight of 261.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 65225358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).