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

C17H23N5O4 — CID 53006497

IUPAC1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c(=O)c2c(C(=O)NCCN3CCCC3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C17H23N5O4/c1-19-12(23)10-11(14(24)18-6-9-22-7-4-5-8-22)13-15(19)20(2)17(26)21(3)16(13)25/h10H,4-9H2,1-3H3,(H,18,24)
InChIKeySPRMLZZOXPSLTN-UHFFFAOYSA-N
MW361.40 g/mol
LogP-1.24
Rot. Bonds4

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

1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53006497) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53006497
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c(=O)c2c(C(=O)NCCN3CCCC3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C17H23N5O4/c1-19-12(23)10-11(14(24)18-6-9-22-7-4-5-8-22)13-15(19)20(2)17(26)21(3)16(13)25/h10H,4-9H2,1-3H3,(H,18,24)
InChIKeySPRMLZZOXPSLTN-UHFFFAOYSA-N
XLogP-1.24
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 53006497) is 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is Cn1c(=O)c2c(C(=O)NCCN3CCCC3)cc(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SPRMLZZOXPSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-19-12(23)10-11(14(24)18-6-9-22-7-4-5-8-22)13-15(19)20(2)17(26)21(3)16(13)25/h10H,4-9H2,1-3H3,(H,18,24).
What are the key properties of 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53006497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).