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

C24H25FN4O4 — CID 90408340

IUPAC4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccc1F
InChIInChI=1S/C24H25FN4O4/c1-15-19(17-10-21(24(31)28(2)14-17)29-6-8-33-9-7-29)12-18(13-26-15)27-23(30)16-4-5-20(25)22(11-16)32-3/h4-5,10-14H,6-9H2,1-3H3,(H,27,30)
InChIKeyNEPSBBSGLKFXGR-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.99
Rot. Bonds5

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

4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide (PubChem CID 90408340) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide
PubChem CID90408340
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccc1F
InChIInChI=1S/C24H25FN4O4/c1-15-19(17-10-21(24(31)28(2)14-17)29-6-8-33-9-7-29)12-18(13-26-15)27-23(30)16-4-5-20(25)22(11-16)32-3/h4-5,10-14H,6-9H2,1-3H3,(H,27,30)
InChIKeyNEPSBBSGLKFXGR-UHFFFAOYSA-N
XLogP2.99
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide (CID 90408340) is 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide is COc1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide?
The InChIKey is NEPSBBSGLKFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-15-19(17-10-21(24(31)28(2)14-17)29-6-8-33-9-7-29)12-18(13-26-15)27-23(30)16-4-5-20(25)22(11-16)32-3/h4-5,10-14H,6-9H2,1-3H3,(H,27,30).
What are the key properties of 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide?
4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide has a molecular weight of 452.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 90408340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).