2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one

C21H18N4O2 — CID 55828946

IUPAC2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(NCc2cccc(OCc3ccccn3)c2)nc2ccccn12
InChIInChI=1S/C21H18N4O2/c26-21-13-19(24-20-9-2-4-11-25(20)21)23-14-16-6-5-8-18(12-16)27-15-17-7-1-3-10-22-17/h1-13,23H,14-15H2
InChIKeyKCHILMCYORWIHB-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.28
Rot. Bonds6

About 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one

2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55828946) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55828946
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(NCc2cccc(OCc3ccccn3)c2)nc2ccccn12
InChIInChI=1S/C21H18N4O2/c26-21-13-19(24-20-9-2-4-11-25(20)21)23-14-16-6-5-8-18(12-16)27-15-17-7-1-3-10-22-17/h1-13,23H,14-15H2
InChIKeyKCHILMCYORWIHB-UHFFFAOYSA-N
XLogP3.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293842
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 56799346
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
CID 50802173
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
CID 46487631
1-(2-methoxyphenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355912

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one (CID 55828946) is 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(NCc2cccc(OCc3ccccn3)c2)nc2ccccn12.
What is the InChIKey of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KCHILMCYORWIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-21-13-19(24-20-9-2-4-11-25(20)21)23-14-16-6-5-8-18(12-16)27-15-17-7-1-3-10-22-17/h1-13,23H,14-15H2.
What are the key properties of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55828946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).