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

C26H25N3O3 — CID 50802150

IUPACN-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C26H25N3O3/c1-17(2)19-8-10-20(11-9-19)26(31)28-21-12-7-18(3)23(14-21)32-16-22-15-25(30)29-13-5-4-6-24(29)27-22/h4-15,17H,16H2,1-3H3,(H,28,31)
InChIKeyRGDMVJUJGIZVAF-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.96
Rot. Bonds6

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

N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide (PubChem CID 50802150) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide
PubChem CID50802150
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C26H25N3O3/c1-17(2)19-8-10-20(11-9-19)26(31)28-21-12-7-18(3)23(14-21)32-16-22-15-25(30)29-13-5-4-6-24(29)27-22/h4-15,17H,16H2,1-3H3,(H,28,31)
InChIKeyRGDMVJUJGIZVAF-UHFFFAOYSA-N
XLogP4.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435
2,2-dimethyl-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 50802163
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876298
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92893125
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
CID 92893123
2-(2-chlorophenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355983
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
1-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46356024
3-chloro-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356460
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide (CID 50802150) is N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide is Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1OCc1cc(=O)n2ccccc2n1.
What is the InChIKey of N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide?
The InChIKey is RGDMVJUJGIZVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17(2)19-8-10-20(11-9-19)26(31)28-21-12-7-18(3)23(14-21)32-16-22-15-25(30)29-13-5-4-6-24(29)27-22/h4-15,17H,16H2,1-3H3,(H,28,31).
What are the key properties of N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide?
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide has a molecular weight of 427.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 50802150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).