8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one

C16H16N4O — CID 5330205

IUPAC8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(N(C)c3ccccc3)nc21
InChIInChI=1S/C16H16N4O/c1-3-20-14(21)10-9-12-11-17-16(18-15(12)20)19(2)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyKNLUVRMEDJQLOQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds3

About 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330205) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330205
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(N(C)c3ccccc3)nc21
InChIInChI=1S/C16H16N4O/c1-3-20-14(21)10-9-12-11-17-16(18-15(12)20)19(2)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyKNLUVRMEDJQLOQ-UHFFFAOYSA-N
XLogP2.58
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330205) is 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(N(C)c3ccccc3)nc21.
What is the InChIKey of 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KNLUVRMEDJQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-20-14(21)10-9-12-11-17-16(18-15(12)20)19(2)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 280.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(N-methylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).