N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C20H23FN4O3 — CID 54682262

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2N1CCCC1
InChIInChI=1S/C20H23FN4O3/c21-14-7-5-13(6-8-14)12-22-19(27)16-17(26)20(28)25-11-3-4-15(18(25)23-16)24-9-1-2-10-24/h5-8,15,26H,1-4,9-12H2,(H,22,27)
InChIKeyACXFMOMITXTZCU-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.95
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54682262) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54682262
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2N1CCCC1
InChIInChI=1S/C20H23FN4O3/c21-14-7-5-13(6-8-14)12-22-19(27)16-17(26)20(28)25-11-3-4-15(18(25)23-16)24-9-1-2-10-24/h5-8,15,26H,1-4,9-12H2,(H,22,27)
InChIKeyACXFMOMITXTZCU-UHFFFAOYSA-N
XLogP1.95
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 54682262) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2N1CCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ACXFMOMITXTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-14-7-5-13(6-8-14)12-22-19(27)16-17(26)20(28)25-11-3-4-15(18(25)23-16)24-9-1-2-10-24/h5-8,15,26H,1-4,9-12H2,(H,22,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54682262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).