2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

C20H22F3N3O3 — CID 30357957

IUPAC2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)14-29-13-16-5-3-15(4-6-16)12-25-19(27)17-2-1-7-24-18(17)26-8-10-28-11-9-26/h1-7H,8-14H2,(H,25,27)
InChIKeyIBLFGTJRBBNJPK-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.93
Rot. Bonds7

About 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 30357957) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID30357957
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)14-29-13-16-5-3-15(4-6-16)12-25-19(27)17-2-1-7-24-18(17)26-8-10-28-11-9-26/h1-7H,8-14H2,(H,25,27)
InChIKeyIBLFGTJRBBNJPK-UHFFFAOYSA-N
XLogP2.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
N-[[3-(difluoromethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 49336379
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 47041480
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 30357957) is 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IBLFGTJRBBNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)14-29-13-16-5-3-15(4-6-16)12-25-19(27)17-2-1-7-24-18(17)26-8-10-28-11-9-26/h1-7H,8-14H2,(H,25,27).
What are the key properties of 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 30357957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).