N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

C10H13N5O — CID 123524646

IUPACN-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCCN)c2cccnc21
InChIInChI=1S/C10H13N5O/c1-15-9-7(3-2-5-12-9)8(14-15)10(16)13-6-4-11/h2-3,5H,4,6,11H2,1H3,(H,13,16)
InChIKeyRPEVXVGRXCFDTP-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.34
Rot. Bonds3

About N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 123524646) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID123524646
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCCN)c2cccnc21
InChIInChI=1S/C10H13N5O/c1-15-9-7(3-2-5-12-9)8(14-15)10(16)13-6-4-11/h2-3,5H,4,6,11H2,1H3,(H,13,16)
InChIKeyRPEVXVGRXCFDTP-UHFFFAOYSA-N
XLogP-0.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 123524646) is N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is Cn1nc(C(=O)NCCN)c2cccnc21.
What is the InChIKey of N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is RPEVXVGRXCFDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-9-7(3-2-5-12-9)8(14-15)10(16)13-6-4-11/h2-3,5H,4,6,11H2,1H3,(H,13,16).
What are the key properties of N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 219.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 123524646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).