N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide

C19H17N5O — CID 664677

IUPACN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
SMILESCCn1nc(NC(=O)c2cccnc2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C19H17N5O/c1-3-24-18-15(10-13-7-4-6-12(2)16(13)21-18)17(23-24)22-19(25)14-8-5-9-20-11-14/h4-11H,3H2,1-2H3,(H,22,23,25)
InChIKeyYEXPYMQMXVAQMI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.56
Rot. Bonds3

About N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide

N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide (PubChem CID 664677) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
PubChem CID664677
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
SMILESCCn1nc(NC(=O)c2cccnc2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C19H17N5O/c1-3-24-18-15(10-13-7-4-6-12(2)16(13)21-18)17(23-24)22-19(25)14-8-5-9-20-11-14/h4-11H,3H2,1-2H3,(H,22,23,25)
InChIKeyYEXPYMQMXVAQMI-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide (CID 664677) is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide is CCn1nc(NC(=O)c2cccnc2)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
The InChIKey is YEXPYMQMXVAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-3-24-18-15(10-13-7-4-6-12(2)16(13)21-18)17(23-24)22-19(25)14-8-5-9-20-11-14/h4-11H,3H2,1-2H3,(H,22,23,25).
What are the key properties of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 664677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).