[2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone

C23H22F2N4O2 — CID 127250067

IUPAC[2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCOC(c3cccc(Cc4c(F)cccc4F)n3)C2)ccn1
InChIInChI=1S/C23H22F2N4O2/c1-26-22-12-15(8-9-27-22)23(30)29-10-11-31-21(14-29)20-7-2-4-16(28-20)13-17-18(24)5-3-6-19(17)25/h2-9,12,21H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyMNHIYRBRSUSZBQ-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.60
Rot. Bonds5

About [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone

[2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 127250067) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID127250067
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name[2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCOC(c3cccc(Cc4c(F)cccc4F)n3)C2)ccn1
InChIInChI=1S/C23H22F2N4O2/c1-26-22-12-15(8-9-27-22)23(30)29-10-11-31-21(14-29)20-7-2-4-16(28-20)13-17-18(24)5-3-6-19(17)25/h2-9,12,21H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyMNHIYRBRSUSZBQ-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463054
2-(1,1-difluoroethyl)-N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610005
N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117610010
N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117610085
6-(5-(difluoromethoxy)pyridin-2-yl)-N-(1-(4-fluorophenyl)ethyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831158
N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)pyridine-4-carboxamide
CID 11846630
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44411050
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44411092
N-[2,2-difluoro-2-[2-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451084
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 11583813
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-[methyl(pyridin-2-yl)amino]phenyl]morpholin-4-yl]pyrimidin-4-one
CID 57877894
6-morpholin-4-yl-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67239808

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 127250067) is [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCOC(c3cccc(Cc4c(F)cccc4F)n3)C2)ccn1.
What is the InChIKey of [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is MNHIYRBRSUSZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-26-22-12-15(8-9-27-22)23(30)29-10-11-31-21(14-29)20-7-2-4-16(28-20)13-17-18(24)5-3-6-19(17)25/h2-9,12,21H,10-11,13-14H2,1H3,(H,26,27).
What are the key properties of [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 424.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 127250067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).