2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

C20H21FN4O2 — CID 122630849

IUPAC2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCN(Cc1cc(=O)n2c(C(=O)NC)c(C)ccc2n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-4-24(16-8-6-14(21)7-9-16)12-15-11-18(26)25-17(23-15)10-5-13(2)19(25)20(27)22-3/h5-11H,4,12H2,1-3H3,(H,22,27)
InChIKeyVMUKPRRMMBFZCX-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.53
Rot. Bonds5

About 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 122630849) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID122630849
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCN(Cc1cc(=O)n2c(C(=O)NC)c(C)ccc2n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-4-24(16-8-6-14(21)7-9-16)12-15-11-18(26)25-17(23-15)10-5-13(2)19(25)20(27)22-3/h5-11H,4,12H2,1-3H3,(H,22,27)
InChIKeyVMUKPRRMMBFZCX-UHFFFAOYSA-N
XLogP2.53
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 122630849) is 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)ccc2n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is VMUKPRRMMBFZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-4-24(16-8-6-14(21)7-9-16)12-15-11-18(26)25-17(23-15)10-5-13(2)19(25)20(27)22-3/h5-11H,4,12H2,1-3H3,(H,22,27).
What are the key properties of 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-4-fluoroanilino)methyl]-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 122630849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).