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

C18H15N5O — CID 662669

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
SMILESCCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21
InChIInChI=1S/C18H15N5O/c1-2-23-17-14(10-12-6-3-4-8-15(12)20-17)16(22-23)21-18(24)13-7-5-9-19-11-13/h3-11H,2H2,1H3,(H,21,22,24)
InChIKeyFEBSQNKZKLHFOC-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.25
Rot. Bonds3

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

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide (PubChem CID 662669) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
PubChem CID662669
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
SMILESCCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21
InChIInChI=1S/C18H15N5O/c1-2-23-17-14(10-12-6-3-4-8-15(12)20-17)16(22-23)21-18(24)13-7-5-9-19-11-13/h3-11H,2H2,1H3,(H,21,22,24)
InChIKeyFEBSQNKZKLHFOC-UHFFFAOYSA-N
XLogP3.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ocinaplon
CID 216456
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
6-cyclopropyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329353
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
CID 25099474
Gpd-1116
CID 9841417
CU-CPT-8m
CID 15042086
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056341
N-{1-(4-Cyclopropyl-2-Fluorophenyl)-3-[1-(Propan-2-Yl)piperidin-4-Yl]-1h-Pyrazol-5-Yl}pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 68357894

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide (CID 662669) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide is CCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
The InChIKey is FEBSQNKZKLHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-2-23-17-14(10-12-6-3-4-8-15(12)20-17)16(22-23)21-18(24)13-7-5-9-19-11-13/h3-11H,2H2,1H3,(H,21,22,24).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 662669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).