2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide

C19H29N5O2 — CID 110260957

IUPAC2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCC1c1nc(C)c2c(n1)N(C)C(=O)CC2
InChIInChI=1S/C19H29N5O2/c1-5-23(6-2)17(26)12-24-11-7-8-15(24)18-20-13(3)14-9-10-16(25)22(4)19(14)21-18/h15H,5-12H2,1-4H3
InChIKeyAGZSLALYMUHDAA-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.70
Rot. Bonds5

About 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide

2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide (PubChem CID 110260957) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide
PubChem CID110260957
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCC1c1nc(C)c2c(n1)N(C)C(=O)CC2
InChIInChI=1S/C19H29N5O2/c1-5-23(6-2)17(26)12-24-11-7-8-15(24)18-20-13(3)14-9-10-16(25)22(4)19(14)21-18/h15H,5-12H2,1-4H3
InChIKeyAGZSLALYMUHDAA-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide (CID 110260957) is 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCC1c1nc(C)c2c(n1)N(C)C(=O)CC2.
What is the InChIKey of 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide?
The InChIKey is AGZSLALYMUHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-5-23(6-2)17(26)12-24-11-7-8-15(24)18-20-13(3)14-9-10-16(25)22(4)19(14)21-18/h15H,5-12H2,1-4H3.
What are the key properties of 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide?
2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide has a molecular weight of 359.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 110260957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).