N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H23F3N4O3 — CID 90442604

IUPACN-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33)30(2)14-17)31-6-8-34-9-7-31)12-19(13-28-15)29-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,32)
InChIKeyNLRKKGQQNSZMJI-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.86
Rot. Bonds4

About N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90442604) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90442604
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33)30(2)14-17)31-6-8-34-9-7-31)12-19(13-28-15)29-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,32)
InChIKeyNLRKKGQQNSZMJI-UHFFFAOYSA-N
XLogP3.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90442604) is N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NLRKKGQQNSZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33)30(2)14-17)31-6-8-34-9-7-31)12-19(13-28-15)29-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,32).
What are the key properties of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 472.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90442604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).