N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C26H27F3N4O3 — CID 90407961

IUPACN-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h4-6,11-16H,7-10H2,1-3H3,(H,32,34)
InChIKeyHSMGIQDGRRTVOS-UHFFFAOYSA-N
MW500.52 g/mol
LogP5.35
Rot. Bonds6

About N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90407961) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90407961
Molecular FormulaC26H27F3N4O3
Molecular Weight500.52 g/mol
Exact Mass500.20
IUPAC NameN-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h4-6,11-16H,7-10H2,1-3H3,(H,32,34)
InChIKeyHSMGIQDGRRTVOS-UHFFFAOYSA-N
XLogP5.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-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-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90407961) is N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HSMGIQDGRRTVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h4-6,11-16H,7-10H2,1-3H3,(H,32,34).
What are the key properties of N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 500.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90407961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).