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

C22H21N3O2 — CID 84570395

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C22H21N3O2/c1-27-20-11-5-3-9-18(20)24-22(26)17-12-13-21(23-15-17)25-14-6-8-16-7-2-4-10-19(16)25/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,24,26)
InChIKeyZXNVUIWGKUICJV-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.43
Rot. Bonds4

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

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 84570395) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID84570395
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C22H21N3O2/c1-27-20-11-5-3-9-18(20)24-22(26)17-12-13-21(23-15-17)25-14-6-8-16-7-2-4-10-19(16)25/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,24,26)
InChIKeyZXNVUIWGKUICJV-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 84570395) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1NC(=O)c1ccc(N2CCCc3ccccc32)nc1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ZXNVUIWGKUICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-20-11-5-3-9-18(20)24-22(26)17-12-13-21(23-15-17)25-14-6-8-16-7-2-4-10-19(16)25/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,24,26).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84570395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).