8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide

C21H24N6O2 — CID 18919373

IUPAC8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(N3CCCC3)nc21
InChIInChI=1S/C21H24N6O2/c1-2-26-14-17(20(29)23-10-7-15-5-8-22-9-6-15)18(28)16-13-24-21(25-19(16)26)27-11-3-4-12-27/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,23,29)
InChIKeyCRSGXMJSDDZHHP-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.78
Rot. Bonds6

About 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide

8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18919373) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID18919373
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(N3CCCC3)nc21
InChIInChI=1S/C21H24N6O2/c1-2-26-14-17(20(29)23-10-7-15-5-8-22-9-6-15)18(28)16-13-24-21(25-19(16)26)27-11-3-4-12-27/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,23,29)
InChIKeyCRSGXMJSDDZHHP-UHFFFAOYSA-N
XLogP1.78
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 18919373) is 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(N3CCCC3)nc21.
What is the InChIKey of 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CRSGXMJSDDZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-26-14-17(20(29)23-10-7-15-5-8-22-9-6-15)18(28)16-13-24-21(25-19(16)26)27-11-3-4-12-27/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,23,29).
What are the key properties of 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18919373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).