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

C24H21N3O3 — CID 50802173

IUPACN-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C24H21N3O3/c28-23(13-12-18-7-2-1-3-8-18)26-19-9-6-10-21(15-19)30-17-20-16-24(29)27-14-5-4-11-22(27)25-20/h1-11,14-16H,12-13,17H2,(H,26,28)
InChIKeyFOLBVTZQWZMWOZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.84
Rot. Bonds7

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

N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide (PubChem CID 50802173) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
PubChem CID50802173
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C24H21N3O3/c28-23(13-12-18-7-2-1-3-8-18)26-19-9-6-10-21(15-19)30-17-20-16-24(29)27-14-5-4-11-22(27)25-20/h1-11,14-16H,12-13,17H2,(H,26,28)
InChIKeyFOLBVTZQWZMWOZ-UHFFFAOYSA-N
XLogP3.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
2-(2-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802127
1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355902
1-(2-methoxyphenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355912
methyl 2-[[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355905
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355923
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 22580423
2-(4-methoxyphenoxy)-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802646
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 51293876

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide (CID 50802173) is N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1.
What is the InChIKey of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide?
The InChIKey is FOLBVTZQWZMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(13-12-18-7-2-1-3-8-18)26-19-9-6-10-21(15-19)30-17-20-16-24(29)27-14-5-4-11-22(27)25-20/h1-11,14-16H,12-13,17H2,(H,26,28).
What are the key properties of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide?
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide has a molecular weight of 399.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 50802173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).