2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C22H24F3N3O2 — CID 67287661

IUPAC2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H24F3N3O2/c1-14-12-18(28-8-10-30-11-9-28)27-20(16-4-5-16)19(14)21(29)26-13-15-2-6-17(7-3-15)22(23,24)25/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3,(H,26,29)
InChIKeyTZHSELNBKFGDQG-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.05
Rot. Bonds5

About 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 67287661) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID67287661
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H24F3N3O2/c1-14-12-18(28-8-10-30-11-9-28)27-20(16-4-5-16)19(14)21(29)26-13-15-2-6-17(7-3-15)22(23,24)25/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3,(H,26,29)
InChIKeyTZHSELNBKFGDQG-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 67287661) is 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is TZHSELNBKFGDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-14-12-18(28-8-10-30-11-9-28)27-20(16-4-5-16)19(14)21(29)26-13-15-2-6-17(7-3-15)22(23,24)25/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3,(H,26,29).
What are the key properties of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 67287661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).