N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide

C31H30F3N7O2 — CID 119099004

IUPACN-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Nc3ccc(-c4cc(C)cc(Nc5cc(C(F)(F)F)ccn5)n4)cn3)CC2)cc1
InChIInChI=1S/C31H30F3N7O2/c1-19-15-26(39-29(16-19)40-28-17-23(9-12-35-28)31(32,33)34)22-5-8-27(36-18-22)38-25-10-13-41(14-11-25)30(43)21-3-6-24(7-4-21)37-20(2)42/h3-9,12,15-18,25H,10-11,13-14H2,1-2H3,(H,36,38)(H,37,42)(H,35,39,40)
InChIKeyHUMVERDBGQNSKM-UHFFFAOYSA-N
MW589.62 g/mol
LogP6.28
Rot. Bonds7

About N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide

N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 119099004) has the molecular formula C31H30F3N7O2 and a molecular weight of 589.62 g/mol. Its IUPAC name is N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide
PubChem CID119099004
Molecular FormulaC31H30F3N7O2
Molecular Weight589.62 g/mol
Exact Mass589.24
IUPAC NameN-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Nc3ccc(-c4cc(C)cc(Nc5cc(C(F)(F)F)ccn5)n4)cn3)CC2)cc1
InChIInChI=1S/C31H30F3N7O2/c1-19-15-26(39-29(16-19)40-28-17-23(9-12-35-28)31(32,33)34)22-5-8-27(36-18-22)38-25-10-13-41(14-11-25)30(43)21-3-6-24(7-4-21)37-20(2)42/h3-9,12,15-18,25H,10-11,13-14H2,1-2H3,(H,36,38)(H,37,42)(H,35,39,40)
InChIKeyHUMVERDBGQNSKM-UHFFFAOYSA-N
XLogP6.28
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.62
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

Flumatinib
CID 46848036
BPKDi
CID 46901383
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
Gnf6231
CID 46927297
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
Type II inhibitor, 2
CID 11518032
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 11648060
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)benzamide
CID 11678175
Jnk-IN-2
CID 57340680
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
CID 44207068

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide (CID 119099004) is N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(Nc3ccc(-c4cc(C)cc(Nc5cc(C(F)(F)F)ccn5)n4)cn3)CC2)cc1.
What is the InChIKey of N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is HUMVERDBGQNSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N7O2/c1-19-15-26(39-29(16-19)40-28-17-23(9-12-35-28)31(32,33)34)22-5-8-27(36-18-22)38-25-10-13-41(14-11-25)30(43)21-3-6-24(7-4-21)37-20(2)42/h3-9,12,15-18,25H,10-11,13-14H2,1-2H3,(H,36,38)(H,37,42)(H,35,39,40).
What are the key properties of N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 589.62 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 119099004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).