N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide

C23H21N3O3 — CID 109219720

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCCc3ccccc32)ccn1
InChIInChI=1S/C23H21N3O3/c27-23(25-17-7-8-21-22(14-17)29-13-12-28-21)19-15-18(9-10-24-19)26-11-3-5-16-4-1-2-6-20(16)26/h1-2,4,6-10,14-15H,3,5,11-13H2,(H,25,27)
InChIKeyOBGKNFSNPARHIW-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.19
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide (PubChem CID 109219720) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
PubChem CID109219720
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCCc3ccccc32)ccn1
InChIInChI=1S/C23H21N3O3/c27-23(25-17-7-8-21-22(14-17)29-13-12-28-21)19-15-18(9-10-24-19)26-11-3-5-16-4-1-2-6-20(16)26/h1-2,4,6-10,14-15H,3,5,11-13H2,(H,25,27)
InChIKeyOBGKNFSNPARHIW-UHFFFAOYSA-N
XLogP4.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109219730
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109204075
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219601
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205740
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide (CID 109219720) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCCc3ccccc32)ccn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The InChIKey is OBGKNFSNPARHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(25-17-7-8-21-22(14-17)29-13-12-28-21)19-15-18(9-10-24-19)26-11-3-5-16-4-1-2-6-20(16)26/h1-2,4,6-10,14-15H,3,5,11-13H2,(H,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109219720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).