4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide

C28H31N5O3 — CID 134153030

IUPAC4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide
SMILESCOc1cc(Oc2c(C)cc(C#N)cc2C)cc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C28H31N5O3/c1-18-12-21(16-29)13-19(2)27(18)36-24-14-25(32-26(15-24)35-3)31-23-8-10-33(11-9-23)17-20-4-6-22(7-5-20)28(30)34/h4-7,12-15,23H,8-11,17H2,1-3H3,(H2,30,34)(H,31,32)
InChIKeyKFMQNWCRQOJPRD-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.55
Rot. Bonds8

About 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide

4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide (PubChem CID 134153030) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide
PubChem CID134153030
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide
SMILESCOc1cc(Oc2c(C)cc(C#N)cc2C)cc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C28H31N5O3/c1-18-12-21(16-29)13-19(2)27(18)36-24-14-25(32-26(15-24)35-3)31-23-8-10-33(11-9-23)17-20-4-6-22(7-5-20)28(30)34/h4-7,12-15,23H,8-11,17H2,1-3H3,(H2,30,34)(H,31,32)
InChIKeyKFMQNWCRQOJPRD-UHFFFAOYSA-N
XLogP4.55
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide
CID 153078776
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 49800153
4-[[4-[[4-(4-Cyano-2,6-dimethylphenoxy)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
CID 146176418
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 24958409
3-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
CID 146176416
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
CID 146176452
3-[[4-[[4-(4-Cyano-2,6-dimethylphenoxy)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
CID 146176478
4-[[4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5-pyridin-4-ylpyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
CID 149176025
4-[[4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-5-(2-fluoro-4-pyridyl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]benzamide
CID 149329341
4-[[4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-5-(2-methoxy-4-pyridyl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]benzamide
CID 152867855
4-[[2-[(1-Benzylpiperidin-4-yl)amino]-6-methoxy-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134137188
4-[[2-Methoxy-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134141554

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide (CID 134153030) is 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide is COc1cc(Oc2c(C)cc(C#N)cc2C)cc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1.
What is the InChIKey of 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide?
The InChIKey is KFMQNWCRQOJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18-12-21(16-29)13-19(2)27(18)36-24-14-25(32-26(15-24)35-3)31-23-8-10-33(11-9-23)17-20-4-6-22(7-5-20)28(30)34/h4-7,12-15,23H,8-11,17H2,1-3H3,(H2,30,34)(H,31,32).
What are the key properties of 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide?
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-6-methoxy-2-pyridinyl]amino]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 134153030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).