8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C20H23N5O — CID 5330221

IUPAC8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21
InChIInChI=1S/C20H23N5O/c1-2-25-18(26)11-6-15-14-21-20(23-19(15)25)22-16-7-9-17(10-8-16)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,21,22,23)
InChIKeyYXIUYZXMIAZJEP-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.55
Rot. Bonds4

About 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330221) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330221
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21
InChIInChI=1S/C20H23N5O/c1-2-25-18(26)11-6-15-14-21-20(23-19(15)25)22-16-7-9-17(10-8-16)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,21,22,23)
InChIKeyYXIUYZXMIAZJEP-UHFFFAOYSA-N
XLogP3.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330221) is 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YXIUYZXMIAZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-25-18(26)11-6-15-14-21-20(23-19(15)25)22-16-7-9-17(10-8-16)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,21,22,23).
What are the key properties of 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 349.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).