2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide

C20H27N5O2 — CID 50945981

IUPAC2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNc1nc(C)cc(N2CCCCC2)n1
InChIInChI=1S/C20H27N5O2/c1-15-14-18(25-12-6-3-7-13-25)24-20(23-15)22-11-10-21-19(26)16-8-4-5-9-17(16)27-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCWQUJLFNWWLKJY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.63
Rot. Bonds7

About 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide

2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide (PubChem CID 50945981) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
PubChem CID50945981
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNc1nc(C)cc(N2CCCCC2)n1
InChIInChI=1S/C20H27N5O2/c1-15-14-18(25-12-6-3-7-13-25)24-20(23-15)22-11-10-21-19(26)16-8-4-5-9-17(16)27-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCWQUJLFNWWLKJY-UHFFFAOYSA-N
XLogP2.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294939
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]naphthalene-1-carboxamide
CID 121075164
2,4-difluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075195
2-methoxy-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 122295080
2-(2-fluorophenoxy)-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 122294488
2,4-dichloro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 70703179
2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
3-fluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075153
4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324837
N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909254
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56922333

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide (CID 50945981) is 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide is COc1ccccc1C(=O)NCCNc1nc(C)cc(N2CCCCC2)n1.
What is the InChIKey of 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide?
The InChIKey is CWQUJLFNWWLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-14-18(25-12-6-3-7-13-25)24-20(23-15)22-11-10-21-19(26)16-8-4-5-9-17(16)27-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide?
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 50945981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).