N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

C22H17FN4O — CID 122655110

IUPACN-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESN#Cc1cc(F)cc(Cc2ccnc(NC(=O)c3cccc4c3CCN4)c2)c1
InChIInChI=1S/C22H17FN4O/c23-17-10-15(9-16(11-17)13-24)8-14-4-6-26-21(12-14)27-22(28)19-2-1-3-20-18(19)5-7-25-20/h1-4,6,9-12,25H,5,7-8H2,(H,26,27,28)
InChIKeyRSBHYYKWXNJNDK-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.90
Rot. Bonds4

About N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655110) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122655110
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESN#Cc1cc(F)cc(Cc2ccnc(NC(=O)c3cccc4c3CCN4)c2)c1
InChIInChI=1S/C22H17FN4O/c23-17-10-15(9-16(11-17)13-24)8-14-4-6-26-21(12-14)27-22(28)19-2-1-3-20-18(19)5-7-25-20/h1-4,6,9-12,25H,5,7-8H2,(H,26,27,28)
InChIKeyRSBHYYKWXNJNDK-UHFFFAOYSA-N
XLogP3.90
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide
CID 122655121
N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122654888
5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122654860
N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655018
N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122654896
N-(2-hydroxy-3-methoxypropyl)-N-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655049
N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655142
3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide
CID 167809546
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 105412079
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655112

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122655110) is N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is N#Cc1cc(F)cc(Cc2ccnc(NC(=O)c3cccc4c3CCN4)c2)c1.
What is the InChIKey of N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is RSBHYYKWXNJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-17-10-15(9-16(11-17)13-24)8-14-4-6-26-21(12-14)27-22(28)19-2-1-3-20-18(19)5-7-25-20/h1-4,6,9-12,25H,5,7-8H2,(H,26,27,28).
What are the key properties of N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).