4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one

C23H16N4O — CID 123990750

IUPAC4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(Nc2ccc(-c3ccc4ccccc4c3)cc2)[nH]1
InChIInChI=1S/C23H16N4O/c28-23-26-21-20(6-3-13-24-21)22(27-23)25-19-11-9-16(10-12-19)18-8-7-15-4-1-2-5-17(15)14-18/h1-14H,(H2,24,25,26,27,28)
InChIKeyXPJZKGIJFKWQCO-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.88
Rot. Bonds3

About 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one

4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 123990750) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID123990750
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(Nc2ccc(-c3ccc4ccccc4c3)cc2)[nH]1
InChIInChI=1S/C23H16N4O/c28-23-26-21-20(6-3-13-24-21)22(27-23)25-19-11-9-16(10-12-19)18-8-7-15-4-1-2-5-17(15)14-18/h1-14H,(H2,24,25,26,27,28)
InChIKeyXPJZKGIJFKWQCO-UHFFFAOYSA-N
XLogP4.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123765562
4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123353263
4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123283624
4-(4-anilinophenoxy)-6-anthracen-2-yl-1H-pyrimidin-2-one
CID 169087255
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
10-naphthalen-2-yl-5-(3-phenylphenyl)benzo[g]quinoline
CID 59183088
6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 156573110
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746
N-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridin-2-amine
CID 58121637
6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
CID 151204837
9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
CID 59412911

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one (CID 123990750) is 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one is O=c1nc2ncccc2c(Nc2ccc(-c3ccc4ccccc4c3)cc2)[nH]1.
What is the InChIKey of 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is XPJZKGIJFKWQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c28-23-26-21-20(6-3-13-24-21)22(27-23)25-19-11-9-16(10-12-19)18-8-7-15-4-1-2-5-17(15)14-18/h1-14H,(H2,24,25,26,27,28).
What are the key properties of 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 123990750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).