4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile

C25H28N6O — CID 71695695

IUPAC4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1ccc(N)c(NC2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C25H28N6O/c1-17-13-20(15-26)14-18(2)24(17)32-23-4-3-22(27)25(30-23)29-21-7-11-31(12-8-21)16-19-5-9-28-10-6-19/h3-6,9-10,13-14,21H,7-8,11-12,16,27H2,1-2H3,(H,29,30)
InChIKeyVRUFEKDCSMQAIL-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.42
Rot. Bonds6

About 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile

4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile (PubChem CID 71695695) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
PubChem CID71695695
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1ccc(N)c(NC2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C25H28N6O/c1-17-13-20(15-26)14-18(2)24(17)32-23-4-3-22(27)25(30-23)29-21-7-11-31(12-8-21)16-19-5-9-28-10-6-19/h3-6,9-10,13-14,21H,7-8,11-12,16,27H2,1-2H3,(H,29,30)
InChIKeyVRUFEKDCSMQAIL-UHFFFAOYSA-N
XLogP4.42
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile with MolForge

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Related Compounds

4-[5-Amino-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
CID 486395
4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478571
4-Methoxy-3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile
CID 71540619
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
4-[[5-Amino-6-(4-cyanoanilino)-2-pyridyl]oxy]-3,5-dimethyl-benzonitrile
CID 44555381
4-[[3-Amino-6-(4-ethynyl-2,6-dimethyl-phenoxy)-2-pyridyl]amino]benzonitrile
CID 45486730
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
CID 488767
U 80493
CID 196883
4-[[3-amino-6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile
CID 46191050
1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
CID 196882
4-[(2-{[1-(3-Cyanophenyl)piperidin-4-yl]amino}pyrimidin-4-yl)oxy]-3,5-dimethylbenzonitrile
CID 24958407
4-[(5-Bromo-2-{[1-(3-cyanophenyl)piperidin-4-yl]amino}pyrimidin-4-yl)oxy]-3,5-dimethylbenzonitrile
CID 24958408

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile (CID 71695695) is 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1Oc1ccc(N)c(NC2CCN(Cc3ccncc3)CC2)n1.
What is the InChIKey of 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The InChIKey is VRUFEKDCSMQAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-17-13-20(15-26)14-18(2)24(17)32-23-4-3-22(27)25(30-23)29-21-7-11-31(12-8-21)16-19-5-9-28-10-6-19/h3-6,9-10,13-14,21H,7-8,11-12,16,27H2,1-2H3,(H,29,30).
What are the key properties of 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile has a molecular weight of 428.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 71695695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).