2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide

C19H25N5O2 — CID 134797071

IUPAC2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(c2nccc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-3-5-15(6-4-14)21-17-7-10-20-19(23-17)24-11-8-16(9-12-24)22-18(25)13-26-2/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyCNMXGXIARLTHNE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide

2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 134797071) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID134797071
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(c2nccc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-3-5-15(6-4-14)21-17-7-10-20-19(23-17)24-11-8-16(9-12-24)22-18(25)13-26-2/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyCNMXGXIARLTHNE-UHFFFAOYSA-N
XLogP2.26
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 134797071) is 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide is COCC(=O)NC1CCN(c2nccc(Nc3ccc(C)cc3)n2)CC1.
What is the InChIKey of 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is CNMXGXIARLTHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-3-5-15(6-4-14)21-17-7-10-20-19(23-17)24-11-8-16(9-12-24)22-18(25)13-26-2/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134797071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).