N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide

C14H18N4O2 — CID 115775742

IUPACN-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC=CCN(CCO)C(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H18N4O2/c1-4-5-18(6-7-19)14(20)11-8-12-10(2)16-17(3)13(12)15-9-11/h4,8-9,19H,1,5-7H2,2-3H3
InChIKeyVIDWUFCHPYSKQR-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.90
Rot. Bonds5

About N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 115775742) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID115775742
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC=CCN(CCO)C(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H18N4O2/c1-4-5-18(6-7-19)14(20)11-8-12-10(2)16-17(3)13(12)15-9-11/h4,8-9,19H,1,5-7H2,2-3H3
InChIKeyVIDWUFCHPYSKQR-UHFFFAOYSA-N
XLogP0.90
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 115775742) is N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide is C=CCN(CCO)C(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VIDWUFCHPYSKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-5-18(6-7-19)14(20)11-8-12-10(2)16-17(3)13(12)15-9-11/h4,8-9,19H,1,5-7H2,2-3H3.
What are the key properties of N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 115775742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).