N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C25H23F3N4O2 — CID 24967990

IUPACN-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)
InChIKeySCXPFFTVFSPORD-UHFFFAOYSA-N
MW468.48 g/mol
LogP6.31
Rot. Bonds4

About N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 24967990) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID24967990
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC NameN-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)
InChIKeySCXPFFTVFSPORD-UHFFFAOYSA-N
XLogP6.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Related Compounds

PF 04457845
CID 24771824
N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
Jnj-40355003
CID 46863664
Rho-Kinase-IN-2
CID 155749520
4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 155749636
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
CID 10837002
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinolin-6-yloxyphenyl)urea
CID 134294499
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 24967990) is N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is SCXPFFTVFSPORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33).
What are the key properties of N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 24967990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).