N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide

C28H30F3N5O2 — CID 71238042

IUPACN-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NC(=O)c3ccccc3)nc2)CC1
InChIInChI=1S/C28H30F3N5O2/c1-18-12-14-36(15-13-18)25-22(8-10-23(34-25)28(29,30)31)17-33-26(37)19(2)21-9-11-24(32-16-21)35-27(38)20-6-4-3-5-7-20/h3-11,16,18-19H,12-15,17H2,1-2H3,(H,33,37)(H,32,35,38)
InChIKeyLCPKJYFRIHXJHA-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.40
Rot. Bonds7

About N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide

N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide (PubChem CID 71238042) has the molecular formula C28H30F3N5O2 and a molecular weight of 525.58 g/mol. Its IUPAC name is N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide
PubChem CID71238042
Molecular FormulaC28H30F3N5O2
Molecular Weight525.58 g/mol
Exact Mass525.24
IUPAC NameN-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NC(=O)c3ccccc3)nc2)CC1
InChIInChI=1S/C28H30F3N5O2/c1-18-12-14-36(15-13-18)25-22(8-10-23(34-25)28(29,30)31)17-33-26(37)19(2)21-9-11-24(32-16-21)35-27(38)20-6-4-3-5-7-20/h3-11,16,18-19H,12-15,17H2,1-2H3,(H,33,37)(H,32,35,38)
InChIKeyLCPKJYFRIHXJHA-UHFFFAOYSA-N
XLogP5.40
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide 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

1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea
CID 71237093
N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrimidin-2-ylacetamide
CID 71238708
2-[4-(aminomethyl)phenyl]-N-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 86679363
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-phenylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71534546
2-[4-[amino(methylsulfonyl)methyl]-3-fluorophenyl]-N-[[2-(4-phenylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89454916
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 25103754
1-[6-(azetidin-1-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71238511
1-(1-chloroisoquinolin-5-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71513609
1-[5-chloro-6-(hydroxymethyl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 150261818
2-[4-[amino(methylsulfonyl)methyl]-3-fluorophenyl]-N-[[2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89455194
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25104700
2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 126564807

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide (CID 71238042) is N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NC(=O)c3ccccc3)nc2)CC1.
What is the InChIKey of N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide?
The InChIKey is LCPKJYFRIHXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O2/c1-18-12-14-36(15-13-18)25-22(8-10-23(34-25)28(29,30)31)17-33-26(37)19(2)21-9-11-24(32-16-21)35-27(38)20-6-4-3-5-7-20/h3-11,16,18-19H,12-15,17H2,1-2H3,(H,33,37)(H,32,35,38).
What are the key properties of N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide?
N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide has a molecular weight of 525.58 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 71238042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).