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

C18H13N5O — CID 123283624

IUPAC4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(Nc2cccc(-c3ccccn3)c2)[nH]1
InChIInChI=1S/C18H13N5O/c24-18-22-16-14(7-4-10-20-16)17(23-18)21-13-6-3-5-12(11-13)15-8-1-2-9-19-15/h1-11H,(H2,20,21,22,23,24)
InChIKeyGHUNJLSQSDGZOX-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.12
Rot. Bonds3

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

4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 123283624) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID123283624
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(Nc2cccc(-c3ccccn3)c2)[nH]1
InChIInChI=1S/C18H13N5O/c24-18-22-16-14(7-4-10-20-16)17(23-18)21-13-6-3-5-12(11-13)15-8-1-2-9-19-15/h1-11H,(H2,20,21,22,23,24)
InChIKeyGHUNJLSQSDGZOX-UHFFFAOYSA-N
XLogP3.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one (CID 123283624) is 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one is O=c1nc2ncccc2c(Nc2cccc(-c3ccccn3)c2)[nH]1.
What is the InChIKey of 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GHUNJLSQSDGZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-18-22-16-14(7-4-10-20-16)17(23-18)21-13-6-3-5-12(11-13)15-8-1-2-9-19-15/h1-11H,(H2,20,21,22,23,24).
What are the key properties of 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one?
4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 315.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 123283624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).