3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C18H24N6O4 — CID 72918863

IUPAC3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)CN1CCOC1=O)CC2
InChIInChI=1S/C18H24N6O4/c1-19-17-20-13-4-7-23(14(25)11-24-8-9-28-18(24)27)10-12(13)15(21-17)16(26)22-5-2-3-6-22/h2-11H2,1H3,(H,19,20,21)
InChIKeyORZPQQIRPVBTQS-UHFFFAOYSA-N
MW388.43 g/mol
LogP0.09
Rot. Bonds4

About 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 72918863) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID72918863
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC Name3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)CN1CCOC1=O)CC2
InChIInChI=1S/C18H24N6O4/c1-19-17-20-13-4-7-23(14(25)11-24-8-9-28-18(24)27)10-12(13)15(21-17)16(26)22-5-2-3-6-22/h2-11H2,1H3,(H,19,20,21)
InChIKeyORZPQQIRPVBTQS-UHFFFAOYSA-N
XLogP0.09
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 72918863) is 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)CN1CCOC1=O)CC2.
What is the InChIKey of 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is ORZPQQIRPVBTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-19-17-20-13-4-7-23(14(25)11-24-8-9-28-18(24)27)10-12(13)15(21-17)16(26)22-5-2-3-6-22/h2-11H2,1H3,(H,19,20,21).
What are the key properties of 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 388.43 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72918863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).