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

C27H26F3N5O2 — CID 90456609

IUPACN-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(C(C)(C)C#N)c(N2CCOCC2)c1
InChIInChI=1S/C27H26F3N5O2/c1-17-22(13-21(15-32-17)34-25(36)18-5-4-6-20(11-18)27(28,29)30)19-12-23(35-7-9-37-10-8-35)24(33-14-19)26(2,3)16-31/h4-6,11-15H,7-10H2,1-3H3,(H,34,36)
InChIKeyPDBWYQWHOPVYTM-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.36
Rot. Bonds5

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

N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456609) has the molecular formula C27H26F3N5O2 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456609
Molecular FormulaC27H26F3N5O2
Molecular Weight509.53 g/mol
Exact Mass509.20
IUPAC NameN-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(C(C)(C)C#N)c(N2CCOCC2)c1
InChIInChI=1S/C27H26F3N5O2/c1-17-22(13-21(15-32-17)34-25(36)18-5-4-6-20(11-18)27(28,29)30)19-12-23(35-7-9-37-10-8-35)24(33-14-19)26(2,3)16-31/h4-6,11-15H,7-10H2,1-3H3,(H,34,36)
InChIKeyPDBWYQWHOPVYTM-UHFFFAOYSA-N
XLogP5.36
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-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-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456609) is N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(C(C)(C)C#N)c(N2CCOCC2)c1.
What is the InChIKey of N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PDBWYQWHOPVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O2/c1-17-22(13-21(15-32-17)34-25(36)18-5-4-6-20(11-18)27(28,29)30)19-12-23(35-7-9-37-10-8-35)24(33-14-19)26(2,3)16-31/h4-6,11-15H,7-10H2,1-3H3,(H,34,36).
What are the key properties of N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 509.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).