N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide

C22H19N3O3 — CID 109197942

IUPACN-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCc3ccccc32)cn1
InChIInChI=1S/C22H19N3O3/c26-22(24-16-7-10-20-21(12-16)28-14-27-20)18-9-8-17(13-23-18)25-11-3-5-15-4-1-2-6-19(15)25/h1-2,4,6-10,12-13H,3,5,11,14H2,(H,24,26)
InChIKeyMCSHPILBRKEWTC-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.15
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide (PubChem CID 109197942) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
PubChem CID109197942
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCc3ccccc32)cn1
InChIInChI=1S/C22H19N3O3/c26-22(24-16-7-10-20-21(12-16)28-14-27-20)18-9-8-17(13-23-18)25-11-3-5-15-4-1-2-6-19(15)25/h1-2,4,6-10,12-13H,3,5,11,14H2,(H,24,26)
InChIKeyMCSHPILBRKEWTC-UHFFFAOYSA-N
XLogP4.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219720
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197949
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186573
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109197953
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109290679
1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
CID 83120051
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide (CID 109197942) is N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCc3ccccc32)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The InChIKey is MCSHPILBRKEWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-22(24-16-7-10-20-21(12-16)28-14-27-20)18-9-8-17(13-23-18)25-11-3-5-15-4-1-2-6-19(15)25/h1-2,4,6-10,12-13H,3,5,11,14H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109197942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).