2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C26H31N5O2 — CID 92562260

IUPAC2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1
InChIInChI=1S/C26H31N5O2/c1-19-7-3-4-8-22(19)26-28-15-20(16-29-26)17-31-13-10-21(11-14-31)25(30-24(32)18-33-2)23-9-5-6-12-27-23/h3-9,12,15-16,21,25H,10-11,13-14,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1
InChIKeyROCWPPBSTBOGDN-RUZDIDTESA-N
MW445.57 g/mol
LogP3.56
Rot. Bonds8

About 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92562260) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92562260
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1
InChIInChI=1S/C26H31N5O2/c1-19-7-3-4-8-22(19)26-28-15-20(16-29-26)17-31-13-10-21(11-14-31)25(30-24(32)18-33-2)23-9-5-6-12-27-23/h3-9,12,15-16,21,25H,10-11,13-14,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1
InChIKeyROCWPPBSTBOGDN-RUZDIDTESA-N
XLogP3.56
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 92562260) is 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1.
What is the InChIKey of 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is ROCWPPBSTBOGDN-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19-7-3-4-8-22(19)26-28-15-20(16-29-26)17-31-13-10-21(11-14-31)25(30-24(32)18-33-2)23-9-5-6-12-27-23/h3-9,12,15-16,21,25H,10-11,13-14,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1.
What are the key properties of 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92562260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).