N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide

C29H30F3N3O4 — CID 90408156

IUPACN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C29H30F3N3O4/c1-19-5-6-23(34-27(36)20-3-2-4-22(15-20)29(30,31)32)17-25(19)21-16-26(35-9-13-38-14-10-35)28(33-18-21)39-24-7-11-37-12-8-24/h2-6,15-18,24H,7-14H2,1H3,(H,34,36)
InChIKeyNWUJNMRBRDSYBD-UHFFFAOYSA-N
MW541.57 g/mol
LogP5.72
Rot. Bonds6

About N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408156) has the molecular formula C29H30F3N3O4 and a molecular weight of 541.57 g/mol. Its IUPAC name is N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90408156
Molecular FormulaC29H30F3N3O4
Molecular Weight541.57 g/mol
Exact Mass541.22
IUPAC NameN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C29H30F3N3O4/c1-19-5-6-23(34-27(36)20-3-2-4-22(15-20)29(30,31)32)17-25(19)21-16-26(35-9-13-38-14-10-35)28(33-18-21)39-24-7-11-37-12-8-24/h2-6,15-18,24H,7-14H2,1H3,(H,34,36)
InChIKeyNWUJNMRBRDSYBD-UHFFFAOYSA-N
XLogP5.72
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (CID 90408156) is N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NWUJNMRBRDSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O4/c1-19-5-6-23(34-27(36)20-3-2-4-22(15-20)29(30,31)32)17-25(19)21-16-26(35-9-13-38-14-10-35)28(33-18-21)39-24-7-11-37-12-8-24/h2-6,15-18,24H,7-14H2,1H3,(H,34,36).
What are the key properties of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 541.57 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).