N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide

C60H58F6N12O2 — CID 162093591

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3ccnc(Nc4nccc(-c5cccc(C(F)(F)F)c5)n4)c3)cc2)CC1.CC1CCN(Cc2ccc(NC(=O)c3cncc(Nc4nccc(-c5cccc(C(F)(F)F)c5)n4)c3)cc2)CC1
InChIInChI=1S/2C30H29F3N6O/c1-20-11-15-39(16-12-20)19-21-5-7-25(8-6-21)36-28(40)23-9-13-34-27(18-23)38-29-35-14-10-26(37-29)22-3-2-4-24(17-22)30(31,32)33;1-20-10-13-39(14-11-20)19-21-5-7-25(8-6-21)36-28(40)23-16-26(18-34-17-23)37-29-35-12-9-27(38-29)22-3-2-4-24(15-22)30(31,32)33/h2-10,13-14,17-18,20H,11-12,15-16,19H2,1H3,(H,36,40)(H,34,35,37,38);2-9,12,15-18,20H,10-11,13-14,19H2,1H3,(H,36,40)(H,35,37,38)
InChIKeyZDYDXLLDPJRJCW-UHFFFAOYSA-N
MW1093.19 g/mol
LogP13.57
Rot. Bonds14

About N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide (PubChem CID 162093591) has the molecular formula C60H58F6N12O2 and a molecular weight of 1093.19 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide
PubChem CID162093591
Molecular FormulaC60H58F6N12O2
Molecular Weight1093.19 g/mol
Exact Mass1092.47
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3ccnc(Nc4nccc(-c5cccc(C(F)(F)F)c5)n4)c3)cc2)CC1.CC1CCN(Cc2ccc(NC(=O)c3cncc(Nc4nccc(-c5cccc(C(F)(F)F)c5)n4)c3)cc2)CC1
InChIInChI=1S/2C30H29F3N6O/c1-20-11-15-39(16-12-20)19-21-5-7-25(8-6-21)36-28(40)23-9-13-34-27(18-23)38-29-35-14-10-26(37-29)22-3-2-4-24(17-22)30(31,32)33;1-20-10-13-39(14-11-20)19-21-5-7-25(8-6-21)36-28(40)23-16-26(18-34-17-23)37-29-35-12-9-27(38-29)22-3-2-4-24(15-22)30(31,32)33/h2-10,13-14,17-18,20H,11-12,15-16,19H2,1H3,(H,36,40)(H,34,35,37,38);2-9,12,15-18,20H,10-11,13-14,19H2,1H3,(H,36,40)(H,35,37,38)
InChIKeyZDYDXLLDPJRJCW-UHFFFAOYSA-N
XLogP13.57
TPSA166.08 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.19
LogP ≤ 513.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 25127667
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 25127999
4-fluoro-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide
CID 25127342
6-methyl-N-[3-(1-propylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688978
methane;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 66715616
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;molecular hydrogen
CID 157040347
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
2-[(1-benzylpiperidin-4-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117093231
N-[3-(1-ethylpiperidin-3-yl)-5-(trifluoromethyl)phenyl]-6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688878
N-[4-(dideuteriomethyl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide
CID 87501690
4-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11341590
methanesulfonic acid;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide
CID 10188302

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide (CID 162093591) is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide is CC1CCN(Cc2ccc(NC(=O)c3ccnc(Nc4nccc(-c5cccc(C(F)(F)F)c5)n4)c3)cc2)CC1.CC1CCN(Cc2ccc(NC(=O)c3cncc(Nc4nccc(-c5cccc(C(F)(F)F)c5)n4)c3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is ZDYDXLLDPJRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29F3N6O/c1-20-11-15-39(16-12-20)19-21-5-7-25(8-6-21)36-28(40)23-9-13-34-27(18-23)38-29-35-14-10-26(37-29)22-3-2-4-24(17-22)30(31,32)33;1-20-10-13-39(14-11-20)19-21-5-7-25(8-6-21)36-28(40)23-16-26(18-34-17-23)37-29-35-12-9-27(38-29)22-3-2-4-24(15-22)30(31,32)33/h2-10,13-14,17-18,20H,11-12,15-16,19H2,1H3,(H,36,40)(H,34,35,37,38);2-9,12,15-18,20H,10-11,13-14,19H2,1H3,(H,36,40)(H,35,37,38).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 1093.19 g/mol, XLogP of 13.57, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 162093591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).