3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

C22H20N4O — CID 121275764

IUPAC3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCN(C)c1cccc(-c2cccc(Cn3cnc4ncccc4c3=O)c2)c1
InChIInChI=1S/C22H20N4O/c1-25(2)19-9-4-8-18(13-19)17-7-3-6-16(12-17)14-26-15-24-21-20(22(26)27)10-5-11-23-21/h3-13,15H,14H2,1-2H3
InChIKeyKJGOWQWKEJJEDQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.57
Rot. Bonds4

About 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 121275764) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID121275764
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCN(C)c1cccc(-c2cccc(Cn3cnc4ncccc4c3=O)c2)c1
InChIInChI=1S/C22H20N4O/c1-25(2)19-9-4-8-18(13-19)17-7-3-6-16(12-17)14-26-15-24-21-20(22(26)27)10-5-11-23-21/h3-13,15H,14H2,1-2H3
InChIKeyKJGOWQWKEJJEDQ-UHFFFAOYSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 39754045
3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275669
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 39794219
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275763
3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one
CID 121275734
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275742

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 121275764) is 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is CN(C)c1cccc(-c2cccc(Cn3cnc4ncccc4c3=O)c2)c1.
What is the InChIKey of 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KJGOWQWKEJJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-25(2)19-9-4-8-18(13-19)17-7-3-6-16(12-17)14-26-15-24-21-20(22(26)27)10-5-11-23-21/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121275764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).