4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile

C26H17N5O — CID 67425705

IUPAC4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(-c3cccnc3Oc3ccc(Nc4ccccn4)cc3)ccnc2c1
InChIInChI=1S/C26H17N5O/c27-17-18-6-11-22-21(12-15-28-24(22)16-18)23-4-3-14-30-26(23)32-20-9-7-19(8-10-20)31-25-5-1-2-13-29-25/h1-16H,(H,29,31)
InChIKeyDPENAVGIUMMHFM-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.10
Rot. Bonds5

About 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile

4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile (PubChem CID 67425705) has the molecular formula C26H17N5O and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile
PubChem CID67425705
Molecular FormulaC26H17N5O
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Name4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(-c3cccnc3Oc3ccc(Nc4ccccn4)cc3)ccnc2c1
InChIInChI=1S/C26H17N5O/c27-17-18-6-11-22-21(12-15-28-24(22)16-18)23-4-3-14-30-26(23)32-20-9-7-19(8-10-20)31-25-5-1-2-13-29-25/h1-16H,(H,29,31)
InChIKeyDPENAVGIUMMHFM-UHFFFAOYSA-N
XLogP6.10
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374245
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374061
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617
N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
CID 46830612
4-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]quinoline-7-carbonitrile
CID 67317676
2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine
CID 70875223
2-anilinopyridine-4-carbonitrile
CID 24696970
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]but-3-yn-2-ol
CID 67425972

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile?
The IUPAC name of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile (CID 67425705) is 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile.
What is the SMILES notation for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile?
The canonical SMILES for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile is N#Cc1ccc2c(-c3cccnc3Oc3ccc(Nc4ccccn4)cc3)ccnc2c1.
What is the InChIKey of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile?
The InChIKey is DPENAVGIUMMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O/c27-17-18-6-11-22-21(12-15-28-24(22)16-18)23-4-3-14-30-26(23)32-20-9-7-19(8-10-20)31-25-5-1-2-13-29-25/h1-16H,(H,29,31).
What are the key properties of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile?
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile has a molecular weight of 415.46 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile is sourced from PubChem (CID 67425705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).