methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate

C26H26F3N5O4 — CID 123599202

IUPACmethyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate
SMILESCOC(=O)NCC1CN(c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)ccn2)CCO1
InChIInChI=1S/C26H26F3N5O4/c1-16-22(12-20(13-31-16)33-24(35)18-4-3-5-19(10-18)26(27,28)29)17-6-7-30-23(11-17)34-8-9-38-21(15-34)14-32-25(36)37-2/h3-7,10-13,21H,8-9,14-15H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyIPWUKCMMNPEWPT-UHFFFAOYSA-N
MW529.52 g/mol
LogP4.28
Rot. Bonds6

About methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate

methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate (PubChem CID 123599202) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate
PubChem CID123599202
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC Namemethyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate
SMILESCOC(=O)NCC1CN(c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)ccn2)CCO1
InChIInChI=1S/C26H26F3N5O4/c1-16-22(12-20(13-31-16)33-24(35)18-4-3-5-19(10-18)26(27,28)29)17-6-7-30-23(11-17)34-8-9-38-21(15-34)14-32-25(36)37-2/h3-7,10-13,21H,8-9,14-15H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyIPWUKCMMNPEWPT-UHFFFAOYSA-N
XLogP4.28
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Aminopyrimidine amide, 13e
CID 16118605
Aminopyrimidine amide, 13c
CID 16118609
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610115
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
4-[6-[[2-(2,6-Difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one
CID 118341405
N-[2-(dimethylamino)ethyl]-8-[(3-fluoro-2-methylanilino)methyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030181
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 132067922
N-(2-(3-oxo-2-(pyridin-3-yl)-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24829724

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate (CID 123599202) is methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate is COC(=O)NCC1CN(c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)ccn2)CCO1.
What is the InChIKey of methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate?
The InChIKey is IPWUKCMMNPEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-16-22(12-20(13-31-16)33-24(35)18-4-3-5-19(10-18)26(27,28)29)17-6-7-30-23(11-17)34-8-9-38-21(15-34)14-32-25(36)37-2/h3-7,10-13,21H,8-9,14-15H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate?
methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate has a molecular weight of 529.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 123599202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).