N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide

C21H17F2N3O — CID 109242657

IUPACN-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cncc(N2CCCc3ccccc32)c1
InChIInChI=1S/C21H17F2N3O/c22-17-7-3-8-18(23)20(17)25-21(27)15-11-16(13-24-12-15)26-10-4-6-14-5-1-2-9-19(14)26/h1-3,5,7-9,11-13H,4,6,10H2,(H,25,27)
InChIKeyPETXRALTZKGVPT-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.70
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide

N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide (PubChem CID 109242657) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
PubChem CID109242657
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC NameN-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cncc(N2CCCc3ccccc32)c1
InChIInChI=1S/C21H17F2N3O/c22-17-7-3-8-18(23)20(17)25-21(27)15-11-16(13-24-12-15)26-10-4-6-14-5-1-2-9-19(14)26/h1-3,5,7-9,11-13H,4,6,10H2,(H,25,27)
InChIKeyPETXRALTZKGVPT-UHFFFAOYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide (CID 109242657) is N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide is O=C(Nc1c(F)cccc1F)c1cncc(N2CCCc3ccccc32)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The InChIKey is PETXRALTZKGVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-17-7-3-8-18(23)20(17)25-21(27)15-11-16(13-24-12-15)26-10-4-6-14-5-1-2-9-19(14)26/h1-3,5,7-9,11-13H,4,6,10H2,(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109242657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).