4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile

C21H14F2N4O — CID 171850814

IUPAC4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCc2cc(F)cc(F)c2)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H14F2N4O/c22-15-5-13(6-16(23)7-15)12-28-19-8-18(11-24)27-21(10-19)26-17-2-1-14-3-4-25-20(14)9-17/h1-10,25H,12H2,(H,26,27)
InChIKeyGPVYVVLJEOVTLF-UHFFFAOYSA-N
MW376.37 g/mol
LogP5.04
Rot. Bonds5

About 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile

4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile (PubChem CID 171850814) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
PubChem CID171850814
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCc2cc(F)cc(F)c2)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H14F2N4O/c22-15-5-13(6-16(23)7-15)12-28-19-8-18(11-24)27-21(10-19)26-17-2-1-14-3-4-25-20(14)9-17/h1-10,25H,12H2,(H,26,27)
InChIKeyGPVYVVLJEOVTLF-UHFFFAOYSA-N
XLogP5.04
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
CID 171850947
6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
CID 171850874
6-(1H-indol-6-ylamino)-4-[(1-methylindazol-5-yl)methoxy]pyridine-2-carbonitrile
CID 171850912
6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
CID 171850799
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850779
6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 164538897
6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
CID 171850898
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
CID 80643657

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile (CID 171850814) is 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile is N#Cc1cc(OCc2cc(F)cc(F)c2)cc(Nc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
The InChIKey is GPVYVVLJEOVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-15-5-13(6-16(23)7-15)12-28-19-8-18(11-24)27-21(10-19)26-17-2-1-14-3-4-25-20(14)9-17/h1-10,25H,12H2,(H,26,27).
What are the key properties of 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile has a molecular weight of 376.37 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 171850814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).