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

C26H25N3O4 — CID 92893123

IUPAC(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C26H25N3O4/c1-3-22(33-21-9-5-4-6-10-21)26(31)28-19-13-12-18(2)23(15-19)32-17-20-16-25(30)29-14-8-7-11-24(29)27-20/h4-16,22H,3,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyQESDKNPOHXNSEK-JOCHJYFZSA-N
MW443.50 g/mol
LogP4.38
Rot. Bonds8

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

(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide (PubChem CID 92893123) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
PubChem CID92893123
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C26H25N3O4/c1-3-22(33-21-9-5-4-6-10-21)26(31)28-19-13-12-18(2)23(15-19)32-17-20-16-25(30)29-14-8-7-11-24(29)27-20/h4-16,22H,3,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyQESDKNPOHXNSEK-JOCHJYFZSA-N
XLogP4.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876298
N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide
CID 50793967
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
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802117
(2R)-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876314
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
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
1-(2-methoxyphenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355912

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-phenoxybutanamide?
The IUPAC name of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide (CID 92893123) is (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1.
What is the InChIKey of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide?
The InChIKey is QESDKNPOHXNSEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-3-22(33-21-9-5-4-6-10-21)26(31)28-19-13-12-18(2)23(15-19)32-17-20-16-25(30)29-14-8-7-11-24(29)27-20/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-phenoxybutanamide?
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide has a molecular weight of 443.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenoxybutanamide is sourced from PubChem (CID 92893123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).