1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one

C17H20F2N4O2 — CID 154742040

IUPAC1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one
SMILESCc1nc(N2CCOCC2)ccc1NCc1cccn(C(F)F)c1=O
InChIInChI=1S/C17H20F2N4O2/c1-12-14(4-5-15(21-12)22-7-9-25-10-8-22)20-11-13-3-2-6-23(16(13)24)17(18)19/h2-6,17,20H,7-11H2,1H3
InChIKeyYETRQSBZLHXISI-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.40
Rot. Bonds5

About 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one

1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one (PubChem CID 154742040) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one
PubChem CID154742040
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one
SMILESCc1nc(N2CCOCC2)ccc1NCc1cccn(C(F)F)c1=O
InChIInChI=1S/C17H20F2N4O2/c1-12-14(4-5-15(21-12)22-7-9-25-10-8-22)20-11-13-3-2-6-23(16(13)24)17(18)19/h2-6,17,20H,7-11H2,1H3
InChIKeyYETRQSBZLHXISI-UHFFFAOYSA-N
XLogP2.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one (CID 154742040) is 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one is Cc1nc(N2CCOCC2)ccc1NCc1cccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one?
The InChIKey is YETRQSBZLHXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-12-14(4-5-15(21-12)22-7-9-25-10-8-22)20-11-13-3-2-6-23(16(13)24)17(18)19/h2-6,17,20H,7-11H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one?
1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one has a molecular weight of 350.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one is sourced from PubChem (CID 154742040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).