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

C20H17F2N3O — CID 46277479

IUPACN-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H17F2N3O/c21-14-5-6-19(17(22)11-14)24-20(26)25-9-7-13(8-10-25)16-12-23-18-4-2-1-3-15(16)18/h1-7,11-12,23H,8-10H2,(H,24,26)
InChIKeyUGOFFQUUDKGQJP-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.77
Rot. Bonds2

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

N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 46277479) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID46277479
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H17F2N3O/c21-14-5-6-19(17(22)11-14)24-20(26)25-9-7-13(8-10-25)16-12-23-18-4-2-1-3-15(16)18/h1-7,11-12,23H,8-10H2,(H,24,26)
InChIKeyUGOFFQUUDKGQJP-UHFFFAOYSA-N
XLogP4.77
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161157
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46699903
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 41133578
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 97034511
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 46277479) is N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UGOFFQUUDKGQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-14-5-6-19(17(22)11-14)24-20(26)25-9-7-13(8-10-25)16-12-23-18-4-2-1-3-15(16)18/h1-7,11-12,23H,8-10H2,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 46277479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).