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

C25H23N3O4 — CID 92893125

IUPAC(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H23N3O4/c1-17-11-12-19(27-25(30)18(2)32-21-8-4-3-5-9-21)14-22(17)31-16-20-15-24(29)28-13-7-6-10-23(28)26-20/h3-15,18H,16H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyPWPNVGDFIFARDQ-GOSISDBHSA-N
MW429.48 g/mol
LogP3.99
Rot. Bonds7

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

(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide (PubChem CID 92893125) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
PubChem CID92893125
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H23N3O4/c1-17-11-12-19(27-25(30)18(2)32-21-8-4-3-5-9-21)14-22(17)31-16-20-15-24(29)28-13-7-6-10-23(28)26-20/h3-15,18H,16H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyPWPNVGDFIFARDQ-GOSISDBHSA-N
XLogP3.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-phenylbutanamide
CID 92876298
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]-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
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92876319
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
ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate
CID 46356012
(2R)-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876314

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-phenoxypropanamide?
The IUPAC name of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide (CID 92893125) is (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1.
What is the InChIKey of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
The InChIKey is PWPNVGDFIFARDQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-11-12-19(27-25(30)18(2)32-21-8-4-3-5-9-21)14-22(17)31-16-20-15-24(29)28-13-7-6-10-23(28)26-20/h3-15,18H,16H2,1-2H3,(H,27,30)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide has a molecular weight of 429.48 g/mol, XLogP of 3.99, 7 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-phenoxypropanamide is sourced from PubChem (CID 92893125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).