6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C17H18N4O3 — CID 16801597

IUPAC6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1OC)c(=O)n(Cc1cccnc1)c(=O)n2C
InChIInChI=1S/C17H18N4O3/c1-4-12-9-19-15-13(14(12)24-3)16(22)21(17(23)20(15)2)10-11-6-5-7-18-8-11/h5-9H,4,10H2,1-3H3
InChIKeyZEXDGDYBNCKQTL-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.11
Rot. Bonds4

About 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16801597) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16801597
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1OC)c(=O)n(Cc1cccnc1)c(=O)n2C
InChIInChI=1S/C17H18N4O3/c1-4-12-9-19-15-13(14(12)24-3)16(22)21(17(23)20(15)2)10-11-6-5-7-18-8-11/h5-9H,4,10H2,1-3H3
InChIKeyZEXDGDYBNCKQTL-UHFFFAOYSA-N
XLogP1.11
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16801597) is 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1OC)c(=O)n(Cc1cccnc1)c(=O)n2C.
What is the InChIKey of 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZEXDGDYBNCKQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-12-9-19-15-13(14(12)24-3)16(22)21(17(23)20(15)2)10-11-6-5-7-18-8-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 326.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16801597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).