N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide

C32H32F3N5O3 — CID 59813392

IUPACN-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4cc(C(F)(F)F)ccc4N(C)C4CCN(C)CC4)cccc3c2)ccn1
InChIInChI=1S/C32H32F3N5O3/c1-36-31(42)28-19-24(11-14-37-28)43-23-8-9-25-20(17-23)5-4-6-26(25)30(41)38-27-18-21(32(33,34)35)7-10-29(27)40(3)22-12-15-39(2)16-13-22/h4-11,14,17-19,22H,12-13,15-16H2,1-3H3,(H,36,42)(H,38,41)
InChIKeyGZRKCIDILSQEIH-UHFFFAOYSA-N
MW591.63 g/mol
LogP6.19
Rot. Bonds7

About N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide

N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide (PubChem CID 59813392) has the molecular formula C32H32F3N5O3 and a molecular weight of 591.63 g/mol. Its IUPAC name is N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide
PubChem CID59813392
Molecular FormulaC32H32F3N5O3
Molecular Weight591.63 g/mol
Exact Mass591.25
IUPAC NameN-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4cc(C(F)(F)F)ccc4N(C)C4CCN(C)CC4)cccc3c2)ccn1
InChIInChI=1S/C32H32F3N5O3/c1-36-31(42)28-19-24(11-14-37-28)43-23-8-9-25-20(17-23)5-4-6-26(25)30(41)38-27-18-21(32(33,34)35)7-10-29(27)40(3)22-12-15-39(2)16-13-22/h4-11,14,17-19,22H,12-13,15-16H2,1-3H3,(H,36,42)(H,38,41)
InChIKeyGZRKCIDILSQEIH-UHFFFAOYSA-N
XLogP6.19
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.63
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide (CID 59813392) is N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4cc(C(F)(F)F)ccc4N(C)C4CCN(C)CC4)cccc3c2)ccn1.
What is the InChIKey of N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide?
The InChIKey is GZRKCIDILSQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O3/c1-36-31(42)28-19-24(11-14-37-28)43-23-8-9-25-20(17-23)5-4-6-26(25)30(41)38-27-18-21(32(33,34)35)7-10-29(27)40(3)22-12-15-39(2)16-13-22/h4-11,14,17-19,22H,12-13,15-16H2,1-3H3,(H,36,42)(H,38,41).
What are the key properties of N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide?
N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide has a molecular weight of 591.63 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 59813392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).