3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one

C22H18N4O2 — CID 59793893

IUPAC3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2cccc3ccccc23)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C22H18N4O2/c1-26-21(28)13-19(16-9-11-23-12-10-16)25-22(26)24-14-20(27)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,14H2,1H3,(H,24,25)
InChIKeyWPMOZQBHPFLTDK-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.29
Rot. Bonds5

About 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59793893) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59793893
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2cccc3ccccc23)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C22H18N4O2/c1-26-21(28)13-19(16-9-11-23-12-10-16)25-22(26)24-14-20(27)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,14H2,1H3,(H,24,25)
InChIKeyWPMOZQBHPFLTDK-UHFFFAOYSA-N
XLogP3.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794000
2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595671
3-methyl-2-(2-phenylsulfanylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 22595651
3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794055
2-[(3-fluorophenoxy)methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 174473014
5-[3-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid
CID 69490857
2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595679
2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid
CID 69490799
3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 22595633
2-anilino-1-isoquinolin-5-ylethanone
CID 116555474
3-methyl-6-pyridin-4-yl-2-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]pyrimidin-4-one
CID 154632881
tert-butyl (3R)-3-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 59576928

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one (CID 59793893) is 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(=O)c2cccc3ccccc23)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is WPMOZQBHPFLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-26-21(28)13-19(16-9-11-23-12-10-16)25-22(26)24-14-20(27)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 370.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-naphthalen-1-yl-2-oxoethyl)amino]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59793893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).