N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane

C26H24F3N5O3 — CID 161266836

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane
SMILESC.CNC(=O)c1cc(Oc2ccc3ncc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1
InChIInChI=1S/C25H20F3N5O3.CH4/c1-30-24(35)22-11-19(6-7-31-22)36-18-4-5-21-15(9-18)8-16(13-32-21)23(34)33-17-3-2-14(12-29)20(10-17)25(26,27)28;/h2-11,13H,12,29H2,1H3,(H,30,35)(H,33,34);1H4
InChIKeyVDHKAPZSTQZEOJ-UHFFFAOYSA-N
MW511.50 g/mol
LogP5.15
Rot. Bonds6

About N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane (PubChem CID 161266836) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane
PubChem CID161266836
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane
SMILESC.CNC(=O)c1cc(Oc2ccc3ncc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1
InChIInChI=1S/C25H20F3N5O3.CH4/c1-30-24(35)22-11-19(6-7-31-22)36-18-4-5-21-15(9-18)8-16(13-32-21)23(34)33-17-3-2-14(12-29)20(10-17)25(26,27)28;/h2-11,13H,12,29H2,1H3,(H,30,35)(H,33,34);1H4
InChIKeyVDHKAPZSTQZEOJ-UHFFFAOYSA-N
XLogP5.15
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane with MolForge

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Related Compounds

4-[[3-[4-(iodomethyl)-3-(trifluoromethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406247
4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58674628
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58264095
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 66721302
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 154633283
4-[7-[[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 23585427
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923
ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamimidate
CID 135213694

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane (CID 161266836) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane is C.CNC(=O)c1cc(Oc2ccc3ncc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane?
The InChIKey is VDHKAPZSTQZEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3.CH4/c1-30-24(35)22-11-19(6-7-31-22)36-18-4-5-21-15(9-18)8-16(13-32-21)23(34)33-17-3-2-14(12-29)20(10-17)25(26,27)28;/h2-11,13H,12,29H2,1H3,(H,30,35)(H,33,34);1H4.
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane has a molecular weight of 511.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]quinoline-3-carboxamide;methane is sourced from PubChem (CID 161266836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).