N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C17H16F3N3O2 — CID 118484365

IUPACN-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)16(24)23-13-4-5-14(22-9-13)15-10-21-6-7-25-15/h1-5,8-9,15,21H,6-7,10H2,(H,23,24)/t15-/m1/s1
InChIKeyKOAKGDXVRHFAON-OAHLLOKOSA-N
MW351.33 g/mol
LogP3.01
Rot. Bonds3

About N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 118484365) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID118484365
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)16(24)23-13-4-5-14(22-9-13)15-10-21-6-7-25-15/h1-5,8-9,15,21H,6-7,10H2,(H,23,24)/t15-/m1/s1
InChIKeyKOAKGDXVRHFAON-OAHLLOKOSA-N
XLogP3.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
N-3-pyridinyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 893036
N-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 72548436
N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 91937592
N-[5-[6-(difluoromethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609550
3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]benzamide
CID 117609734
US10377770, Example 514
CID 129271730
US10377770, Example 32
CID 129272025
N-[6-methyl-5-(3-morpholin-4-yl-2-oxo-3H-pyridin-5-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 132274451

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 118484365) is N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc([C@H]2CNCCO2)nc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KOAKGDXVRHFAON-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)16(24)23-13-4-5-14(22-9-13)15-10-21-6-7-25-15/h1-5,8-9,15,21H,6-7,10H2,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 351.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118484365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).