N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide

C19H17N5O — CID 665225

IUPACN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
SMILESCCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H17N5O/c1-2-11-24-18-15(12-14-5-3-4-6-16(14)21-18)17(23-24)22-19(25)13-7-9-20-10-8-13/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyLDLPARUICKOWRD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.64
Rot. Bonds4

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

N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide (PubChem CID 665225) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
PubChem CID665225
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
SMILESCCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H17N5O/c1-2-11-24-18-15(12-14-5-3-4-6-16(14)21-18)17(23-24)22-19(25)13-7-9-20-10-8-13/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyLDLPARUICKOWRD-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide (CID 665225) is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide is CCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
The InChIKey is LDLPARUICKOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-11-24-18-15(12-14-5-3-4-6-16(14)21-18)17(23-24)22-19(25)13-7-9-20-10-8-13/h3-10,12H,2,11H2,1H3,(H,22,23,25).
What are the key properties of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).