6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile

C23H19N5O2 — CID 71295333

IUPAC6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)nc1
InChIInChI=1S/C23H19N5O2/c24-13-16-1-4-22(27-15-16)28-23-12-18(5-8-26-23)17-2-3-21(19(11-17)14-25)30-20-6-9-29-10-7-20/h1-5,8,11-12,15,20H,6-7,9-10H2,(H,26,27,28)
InChIKeyNLPNLVFDNONUOB-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.19
Rot. Bonds5

About 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile

6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 71295333) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
PubChem CID71295333
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)nc1
InChIInChI=1S/C23H19N5O2/c24-13-16-1-4-22(27-15-16)28-23-12-18(5-8-26-23)17-2-3-21(19(11-17)14-25)30-20-6-9-29-10-7-20/h1-5,8,11-12,15,20H,6-7,9-10H2,(H,26,27,28)
InChIKeyNLPNLVFDNONUOB-UHFFFAOYSA-N
XLogP4.19
TPSA103.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
5-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 71295091
5-[2-[[6-methoxy-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 138576539
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole
CID 145336303
cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129256376
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 129244208
2-(oxan-4-yloxy)-5-[2-[(6-oxo-1H-pyridazin-3-yl)amino]pyrimidin-4-yl]benzonitrile
CID 71295114
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 129244301
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 129243991
5-[5-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71569845
2-[(1-acetylpiperidin-4-yl)methoxy]-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile
CID 89434721
2-(oxan-4-yloxy)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]benzonitrile
CID 66571025

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile (CID 71295333) is 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)nc1.
What is the InChIKey of 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The InChIKey is NLPNLVFDNONUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c24-13-16-1-4-22(27-15-16)28-23-12-18(5-8-26-23)17-2-3-21(19(11-17)14-25)30-20-6-9-29-10-7-20/h1-5,8,11-12,15,20H,6-7,9-10H2,(H,26,27,28).
What are the key properties of 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 71295333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).