N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide

C22H19FN4O3 — CID 90939443

IUPACN-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H19FN4O3/c1-24-21(28)19-13-18(8-10-25-19)30-17-6-7-20-14(12-17)9-11-27(20)22(29)26-16-4-2-15(23)3-5-16/h2-8,10,12-13H,9,11H2,1H3,(H,24,28)(H,26,29)
InChIKeyBPZLZBNHQQAUJQ-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.97
Rot. Bonds4

About N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide

N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide (PubChem CID 90939443) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
PubChem CID90939443
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H19FN4O3/c1-24-21(28)19-13-18(8-10-25-19)30-17-6-7-20-14(12-17)9-11-27(20)22(29)26-16-4-2-15(23)3-5-16/h2-8,10,12-13H,9,11H2,1H3,(H,24,28)(H,26,29)
InChIKeyBPZLZBNHQQAUJQ-UHFFFAOYSA-N
XLogP3.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824191
7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-[4-(trifluoromethylsulfanyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 66721650
N-(4-butylphenyl)-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 69434633
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide;methane
CID 160554517
5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide
CID 144552411
5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid
CID 158633098
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide (CID 90939443) is N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(F)cc2)ccn1.
What is the InChIKey of N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide?
The InChIKey is BPZLZBNHQQAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-24-21(28)19-13-18(8-10-25-19)30-17-6-7-20-14(12-17)9-11-27(20)22(29)26-16-4-2-15(23)3-5-16/h2-8,10,12-13H,9,11H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide?
N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 90939443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).