4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C14H17N5O3 — CID 15097890

IUPAC4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCCC3)nc21
InChIInChI=1S/C14H17N5O3/c1-2-18-7-8(13(21)22)10(20)9-11(15)16-14(17-12(9)18)19-5-3-4-6-19/h7H,2-6H2,1H3,(H,21,22)(H2,15,16,17)
InChIKeyMPVRLANTHPAYMD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 15097890) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID15097890
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCCC3)nc21
InChIInChI=1S/C14H17N5O3/c1-2-18-7-8(13(21)22)10(20)9-11(15)16-14(17-12(9)18)19-5-3-4-6-19/h7H,2-6H2,1H3,(H,21,22)(H2,15,16,17)
InChIKeyMPVRLANTHPAYMD-UHFFFAOYSA-N
XLogP0.69
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 15097890) is 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCCC3)nc21.
What is the InChIKey of 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is MPVRLANTHPAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-2-18-7-8(13(21)22)10(20)9-11(15)16-14(17-12(9)18)19-5-3-4-6-19/h7H,2-6H2,1H3,(H,21,22)(H2,15,16,17).
What are the key properties of 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 15097890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).