(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide

C25H23N3O4 — CID 92876319

IUPAC(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
SMILESCc1ccc2nc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)cc(=O)n2c1
InChIInChI=1S/C25H23N3O4/c1-17-12-13-23-26-19(14-24(29)28(23)15-17)16-31-22-11-7-6-10-21(22)27-25(30)18(2)32-20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,27,30)/t18-/m0/s1
InChIKeyBCGQOIZQPYGVFQ-SFHVURJKSA-N
MW429.48 g/mol
LogP3.99
Rot. Bonds7

About (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide

(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide (PubChem CID 92876319) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
PubChem CID92876319
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
SMILESCc1ccc2nc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)cc(=O)n2c1
InChIInChI=1S/C25H23N3O4/c1-17-12-13-23-26-19(14-24(29)28(23)15-17)16-31-22-11-7-6-10-21(22)27-25(30)18(2)32-20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,27,30)/t18-/m0/s1
InChIKeyBCGQOIZQPYGVFQ-SFHVURJKSA-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

1-(3,5-dimethoxyphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356557
1-(2,3-dimethylphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356537
(2R)-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 51692788
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92893125
N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide
CID 46356506
ethyl 4-[[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356548
7-methyl-2-[(2-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42904358
1-(2,3-dimethylphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356598
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356560
1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
CID 46356697
N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 46356819
ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 56726823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide (CID 92876319) is (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide is Cc1ccc2nc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)cc(=O)n2c1.
What is the InChIKey of (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
The InChIKey is BCGQOIZQPYGVFQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-12-13-23-26-19(14-24(29)28(23)15-17)16-31-22-11-7-6-10-21(22)27-25(30)18(2)32-20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,27,30)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide?
(2S)-N-[2-[(7-methyl-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 (2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 92876319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).