(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide

C26H25N3O3 — CID 92876298

IUPAC(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-3-22(19-9-5-4-6-10-19)26(31)28-20-13-12-18(2)23(15-20)32-17-21-16-25(30)29-14-8-7-11-24(29)27-21/h4-16,22H,3,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyWBISFQKPJDWKED-JOCHJYFZSA-N
MW427.50 g/mol
LogP4.71
Rot. Bonds7

About (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide

(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide (PubChem CID 92876298) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
PubChem CID92876298
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-3-22(19-9-5-4-6-10-19)26(31)28-20-13-12-18(2)23(15-20)32-17-21-16-25(30)29-14-8-7-11-24(29)27-21/h4-16,22H,3,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyWBISFQKPJDWKED-JOCHJYFZSA-N
XLogP4.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide with MolForge

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Related Compounds

(2R)-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876314
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
CID 92893123
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92893125
2,2-dimethyl-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 50802163
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide
CID 50802150
1-(2,5-dimethylphenyl)-3-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356000
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802117
ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate
CID 46356012
1-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46356024
2-(2-chlorophenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355983
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide (CID 92876298) is (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide?
The InChIKey is WBISFQKPJDWKED-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-22(19-9-5-4-6-10-19)26(31)28-20-13-12-18(2)23(15-20)32-17-21-16-25(30)29-14-8-7-11-24(29)27-21/h4-16,22H,3,17H2,1-2H3,(H,28,31)/t22-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide?
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide has a molecular weight of 427.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 92876298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).