3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

C55H60F3N9O6 — CID 158188019

IUPAC3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(C3CNCCO3)cc2)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H24N4O2.C18H20N2O2.C17H16F3N3O2/c25-20(16-5-8-19(22-13-16)24-10-1-2-11-24)23-17-6-3-15(4-7-17)18-14-21-9-12-26-18;1-13-3-2-4-15(11-13)18(21)20-16-7-5-14(6-8-16)17-12-19-9-10-22-17;18-17(19,20)15-9-12(5-6-22-15)16(24)23-13-3-1-11(2-4-13)14-10-21-7-8-25-14/h3-8,13,18,21H,1-2,9-12,14H2,(H,23,25);2-8,11,17,19H,9-10,12H2,1H3,(H,20,21);1-6,9,14,21H,7-8,10H2,(H,23,24)
InChIKeyFZJQRYGUAYJZCN-UHFFFAOYSA-N
MW1000.14 g/mol
LogP8.52
Rot. Bonds10

About 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158188019) has the molecular formula C55H60F3N9O6 and a molecular weight of 1000.14 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158188019
Molecular FormulaC55H60F3N9O6
Molecular Weight1000.14 g/mol
Exact Mass999.46
IUPAC Name3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(C3CNCCO3)cc2)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H24N4O2.C18H20N2O2.C17H16F3N3O2/c25-20(16-5-8-19(22-13-16)24-10-1-2-11-24)23-17-6-3-15(4-7-17)18-14-21-9-12-26-18;1-13-3-2-4-15(11-13)18(21)20-16-7-5-14(6-8-16)17-12-19-9-10-22-17;18-17(19,20)15-9-12(5-6-22-15)16(24)23-13-3-1-11(2-4-13)14-10-21-7-8-25-14/h3-8,13,18,21H,1-2,9-12,14H2,(H,23,25);2-8,11,17,19H,9-10,12H2,1H3,(H,20,21);1-6,9,14,21H,7-8,10H2,(H,23,24)
InChIKeyFZJQRYGUAYJZCN-UHFFFAOYSA-N
XLogP8.52
TPSA180.10 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001000.14
LogP ≤ 58.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 67239550
6-morpholin-4-yl-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67239808
US10125118, Example 381
CID 126644120
US10125118, Example 367
CID 126644618
N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773395
N-[4-[1,1,1,3,3,3-hexafluoro-2-(pyrrolidin-2-ylmethoxy)propan-2-yl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22498939
2-[2-(3-fluorophenyl)ethylamino]-6-[3-(methoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 57543139
tert-butyl (2S)-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenyl]propan-2-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 59218759
N-[4-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 59997008
Ethyl 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-4-morpholin-4-ylpyridine-3-carboxylate
CID 67267927
2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]-N-[6-(oxolan-2-ylmethylamino)pyridin-3-yl]pyridine-3-carboxamide
CID 69458995
8-Ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934175

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158188019) is 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1cccc(C(=O)Nc2ccc(C3CNCCO3)cc2)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FZJQRYGUAYJZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.C18H20N2O2.C17H16F3N3O2/c25-20(16-5-8-19(22-13-16)24-10-1-2-11-24)23-17-6-3-15(4-7-17)18-14-21-9-12-26-18;1-13-3-2-4-15(11-13)18(21)20-16-7-5-14(6-8-16)17-12-19-9-10-22-17;18-17(19,20)15-9-12(5-6-22-15)16(24)23-13-3-1-11(2-4-13)14-10-21-7-8-25-14/h3-8,13,18,21H,1-2,9-12,14H2,(H,23,25);2-8,11,17,19H,9-10,12H2,1H3,(H,20,21);1-6,9,14,21H,7-8,10H2,(H,23,24).
What are the key properties of 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1000.14 g/mol, XLogP of 8.52, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158188019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).