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

C20H21N3O3 — CID 22580423

IUPACN-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H21N3O3/c1-2-3-11-19(24)22-16-8-4-5-9-17(16)26-14-15-13-20(25)23-12-7-6-10-18(23)21-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,24)
InChIKeyGQPKUKHIHWFSRY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.40
Rot. Bonds7

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

N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide (PubChem CID 22580423) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
PubChem CID22580423
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H21N3O3/c1-2-3-11-19(24)22-16-8-4-5-9-17(16)26-14-15-13-20(25)23-12-7-6-10-18(23)21-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,24)
InChIKeyGQPKUKHIHWFSRY-UHFFFAOYSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide
CID 50744304
2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355856
1-(2-chlorophenyl)-3-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355871
2-(4-chlorophenyl)sulfanyl-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355858
3,4-dimethoxy-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355860
1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960
1-(2-methoxyphenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355912
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
CID 46356697
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
CID 50802173
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 55404463

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide?
The IUPAC name of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide (CID 22580423) is N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide.
What is the SMILES notation for N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide?
The canonical SMILES for N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide is CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1.
What is the InChIKey of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide?
The InChIKey is GQPKUKHIHWFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-3-11-19(24)22-16-8-4-5-9-17(16)26-14-15-13-20(25)23-12-7-6-10-18(23)21-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,24).
What are the key properties of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide?
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide has a molecular weight of 351.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide is sourced from PubChem (CID 22580423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).