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

C25H31FN6O3 — CID 118709716

IUPACN-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1ccccc1F)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C25H31FN6O3/c1-17(28-21-7-5-4-6-20(21)26)19-14-18(25(34)27-8-9-30(2)3)16-32-23(33)15-22(29-24(19)32)31-10-12-35-13-11-31/h4-7,14-17,28H,8-13H2,1-3H3,(H,27,34)
InChIKeyBWHGFDUSYVJYEU-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.13
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709716) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709716
Molecular FormulaC25H31FN6O3
Molecular Weight482.56 g/mol
Exact Mass482.24
IUPAC NameN-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1ccccc1F)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C25H31FN6O3/c1-17(28-21-7-5-4-6-20(21)26)19-14-18(25(34)27-8-9-30(2)3)16-32-23(33)15-22(29-24(19)32)31-10-12-35-13-11-31/h4-7,14-17,28H,8-13H2,1-3H3,(H,27,34)
InChIKeyBWHGFDUSYVJYEU-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709716) is N-[2-(dimethylamino)ethyl]-9-[1-(2-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-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1ccccc1F)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is BWHGFDUSYVJYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-17(28-21-7-5-4-6-20(21)26)19-14-18(25(34)27-8-9-30(2)3)16-32-23(33)15-22(29-24(19)32)31-10-12-35-13-11-31/h4-7,14-17,28H,8-13H2,1-3H3,(H,27,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-[1-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
N-[2-(dimethylamino)ethyl]-9-[1-(2-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-(2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).