N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C25H31FN6O3 — CID 118709715

IUPACN-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C25H31FN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34)
InChIKeyTTZWOTKYWNLLRZ-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709715) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709715
Molecular FormulaC25H31FN6O3
Molecular Weight482.56 g/mol
Exact Mass482.24
IUPAC NameN-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C25H31FN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34)
InChIKeyTTZWOTKYWNLLRZ-UHFFFAOYSA-N
XLogP2.13
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Tgx-221
CID 9907093
(5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 51601993
2-[4-(Morpholin-4-Yl)-6-Oxo-1,6-Dihydropyrimidin-2-Yl]-N-Phenylacetamide
CID 135566741
N-(3,4-difluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 49854022
2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
CID 49854121
7-Methyl-9-(2-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 57798309
9-[1-(3,5-Difluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839776
9-[1-(4-Fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839794
9-[1-(3-Chloroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839801
7-Methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839834
N-(4-fluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 66883557
9-(1-Anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 118709076

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709715) is N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1cccc(F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is TTZWOTKYWNLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).