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

C22H21N3O2 — CID 109242624

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(N3CCCc4ccccc43)c2)c1
InChIInChI=1S/C22H21N3O2/c1-27-20-9-4-8-18(13-20)24-22(26)17-12-19(15-23-14-17)25-11-5-7-16-6-2-3-10-21(16)25/h2-4,6,8-10,12-15H,5,7,11H2,1H3,(H,24,26)
InChIKeyCETCDWXIKWVDDG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.43
Rot. Bonds4

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

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109242624) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109242624
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(N3CCCc4ccccc43)c2)c1
InChIInChI=1S/C22H21N3O2/c1-27-20-9-4-8-18(13-20)24-22(26)17-12-19(15-23-14-17)25-11-5-7-16-6-2-3-10-21(16)25/h2-4,6,8-10,12-15H,5,7,11H2,1H3,(H,24,26)
InChIKeyCETCDWXIKWVDDG-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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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109242623
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109242491
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242505
N-(3-acetylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242503
N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109242657
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227719
N-(3-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227296
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109224434
6-(2,3-dihydroindol-1-yl)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 84574227
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109242624) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(N3CCCc4ccccc43)c2)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is CETCDWXIKWVDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-20-9-4-8-18(13-20)24-22(26)17-12-19(15-23-14-17)25-11-5-7-16-6-2-3-10-21(16)25/h2-4,6,8-10,12-15H,5,7,11H2,1H3,(H,24,26).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-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 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).