N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C15H23N5O2 — CID 167784449

IUPACN-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)N(C)CC(C)N)c(=O)[nH]n2C
InChIInChI=1S/C15H23N5O2/c1-8(16)7-19(4)12(21)6-11-9(2)13-14(17-10(11)3)20(5)18-15(13)22/h8H,6-7,16H2,1-5H3,(H,18,22)
InChIKeyQEZYNOUEAMUBPN-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.23
Rot. Bonds4

About N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 167784449) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID167784449
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)N(C)CC(C)N)c(=O)[nH]n2C
InChIInChI=1S/C15H23N5O2/c1-8(16)7-19(4)12(21)6-11-9(2)13-14(17-10(11)3)20(5)18-15(13)22/h8H,6-7,16H2,1-5H3,(H,18,22)
InChIKeyQEZYNOUEAMUBPN-UHFFFAOYSA-N
XLogP0.23
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 167784449) is N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1nc2c(c(C)c1CC(=O)N(C)CC(C)N)c(=O)[nH]n2C.
What is the InChIKey of N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is QEZYNOUEAMUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-8(16)7-19(4)12(21)6-11-9(2)13-14(17-10(11)3)20(5)18-15(13)22/h8H,6-7,16H2,1-5H3,(H,18,22).
What are the key properties of N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 167784449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).