6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide

C24H25N7O2 — CID 67339298

IUPAC6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide
SMILESCc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C24H25N7O2/c1-15-12-17(14-25)13-16(2)22(15)33-21-6-9-27-24(30-21)28-18-7-10-31(11-8-18)20-5-3-4-19(29-20)23(26)32/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3,(H2,26,32)(H,27,28,30)
InChIKeyLNAFEVRHMBMCFZ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.33
Rot. Bonds6

About 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide

6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 67339298) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID67339298
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide
SMILESCc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C24H25N7O2/c1-15-12-17(14-25)13-16(2)22(15)33-21-6-9-27-24(30-21)28-18-7-10-31(11-8-18)20-5-3-4-19(29-20)23(26)32/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3,(H2,26,32)(H,27,28,30)
InChIKeyLNAFEVRHMBMCFZ-UHFFFAOYSA-N
XLogP3.33
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide (CID 67339298) is 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide is Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)n3)CC2)n1.
What is the InChIKey of 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is LNAFEVRHMBMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15-12-17(14-25)13-16(2)22(15)33-21-6-9-27-24(30-21)28-18-7-10-31(11-8-18)20-5-3-4-19(29-20)23(26)32/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3,(H2,26,32)(H,27,28,30).
What are the key properties of 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide?
6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67339298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).