3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C19H27N5O4 — CID 53006475

IUPAC3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)c2c(C(=O)NCCN3CCCC3)cc(=O)n(CC)c2n(C)c1=O
InChIInChI=1S/C19H27N5O4/c1-4-23-14(25)12-13(16(26)20-8-11-22-9-6-7-10-22)15-17(23)21(3)19(28)24(5-2)18(15)27/h12H,4-11H2,1-3H3,(H,20,26)
InChIKeyDYUUQGPNWHRSQD-UHFFFAOYSA-N
MW389.46 g/mol
LogP-0.27
Rot. Bonds6

About 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53006475) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53006475
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)c2c(C(=O)NCCN3CCCC3)cc(=O)n(CC)c2n(C)c1=O
InChIInChI=1S/C19H27N5O4/c1-4-23-14(25)12-13(16(26)20-8-11-22-9-6-7-10-22)15-17(23)21(3)19(28)24(5-2)18(15)27/h12H,4-11H2,1-3H3,(H,20,26)
InChIKeyDYUUQGPNWHRSQD-UHFFFAOYSA-N
XLogP-0.27
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 53006475) is 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)c2c(C(=O)NCCN3CCCC3)cc(=O)n(CC)c2n(C)c1=O.
What is the InChIKey of 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DYUUQGPNWHRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-4-23-14(25)12-13(16(26)20-8-11-22-9-6-7-10-22)15-17(23)21(3)19(28)24(5-2)18(15)27/h12H,4-11H2,1-3H3,(H,20,26).
What are the key properties of 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-1-methyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53006475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).