4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

C18H23N5O3 — CID 44783215

IUPAC4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NCC(=O)N3CCCC3)cnc12
InChIInChI=1S/C18H23N5O3/c1-2-7-19-17(25)13-6-5-10-23-16(13)21-11-14(18(23)26)20-12-15(24)22-8-3-4-9-22/h5-6,10-11,20H,2-4,7-9,12H2,1H3,(H,19,25)
InChIKeyIPDYMXXKNXQZFH-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.87
Rot. Bonds6

About 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783215) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783215
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NCC(=O)N3CCCC3)cnc12
InChIInChI=1S/C18H23N5O3/c1-2-7-19-17(25)13-6-5-10-23-16(13)21-11-14(18(23)26)20-12-15(24)22-8-3-4-9-22/h5-6,10-11,20H,2-4,7-9,12H2,1H3,(H,19,25)
InChIKeyIPDYMXXKNXQZFH-UHFFFAOYSA-N
XLogP0.87
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783215) is 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is CCCNC(=O)c1cccn2c(=O)c(NCC(=O)N3CCCC3)cnc12.
What is the InChIKey of 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is IPDYMXXKNXQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-7-19-17(25)13-6-5-10-23-16(13)21-11-14(18(23)26)20-12-15(24)22-8-3-4-9-22/h5-6,10-11,20H,2-4,7-9,12H2,1H3,(H,19,25).
What are the key properties of 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).