N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide

C26H31F3N6O3 — CID 118709717

IUPACN-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(C(F)(F)F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C26H31F3N6O3/c1-17(31-20-6-4-5-19(14-20)26(27,28)29)21-13-18(25(37)30-7-8-33(2)3)16-35-23(36)15-22(32-24(21)35)34-9-11-38-12-10-34/h4-6,13-17,31H,7-12H2,1-3H3,(H,30,37)
InChIKeyRCWXHOGPTHKHTG-UHFFFAOYSA-N
MW532.57 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide

N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709717) has the molecular formula C26H31F3N6O3 and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709717
Molecular FormulaC26H31F3N6O3
Molecular Weight532.57 g/mol
Exact Mass532.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(C(F)(F)F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C26H31F3N6O3/c1-17(31-20-6-4-5-19(14-20)26(27,28)29)21-13-18(25(37)30-7-8-33(2)3)16-35-23(36)15-22(32-24(21)35)34-9-11-38-12-10-34/h4-6,13-17,31H,7-12H2,1-3H3,(H,30,37)
InChIKeyRCWXHOGPTHKHTG-UHFFFAOYSA-N
XLogP3.01
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.57
LogP ≤ 53.01
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]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709717) is N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1cccc(C(F)(F)F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is RCWXHOGPTHKHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O3/c1-17(31-20-6-4-5-19(14-20)26(27,28)29)21-13-18(25(37)30-7-8-33(2)3)16-35-23(36)15-22(32-24(21)35)34-9-11-38-12-10-34/h4-6,13-17,31H,7-12H2,1-3H3,(H,30,37).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide?
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 3.01, 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]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).