N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide

C29H25F3N4O2 — CID 89462995

IUPACN-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCC(=C1CCC(NC(=O)c2cccnc2)CC1)c1cc(Oc2ccc(C(F)(F)F)cn2)cc2ncccc12
InChIInChI=1S/C29H25F3N4O2/c1-18(19-6-9-22(10-7-19)36-28(37)20-4-2-12-33-16-20)25-14-23(15-26-24(25)5-3-13-34-26)38-27-11-8-21(17-35-27)29(30,31)32/h2-5,8,11-17,22H,6-7,9-10H2,1H3,(H,36,37)/b19-18-
InChIKeyVOHSEBCRWLBGMC-HNENSFHCSA-N
MW518.54 g/mol
LogP6.98
Rot. Bonds5

About N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide

N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89462995) has the molecular formula C29H25F3N4O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89462995
Molecular FormulaC29H25F3N4O2
Molecular Weight518.54 g/mol
Exact Mass518.19
IUPAC NameN-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCC(=C1CCC(NC(=O)c2cccnc2)CC1)c1cc(Oc2ccc(C(F)(F)F)cn2)cc2ncccc12
InChIInChI=1S/C29H25F3N4O2/c1-18(19-6-9-22(10-7-19)36-28(37)20-4-2-12-33-16-20)25-14-23(15-26-24(25)5-3-13-34-26)38-27-11-8-21(17-35-27)29(30,31)32/h2-5,8,11-17,22H,6-7,9-10H2,1H3,(H,36,37)/b19-18-
InChIKeyVOHSEBCRWLBGMC-HNENSFHCSA-N
XLogP6.98
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide (CID 89462995) is N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide is CC(=C1CCC(NC(=O)c2cccnc2)CC1)c1cc(Oc2ccc(C(F)(F)F)cn2)cc2ncccc12.
What is the InChIKey of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is VOHSEBCRWLBGMC-HNENSFHCSA-N. The full InChI is InChI=1S/C29H25F3N4O2/c1-18(19-6-9-22(10-7-19)36-28(37)20-4-2-12-33-16-20)25-14-23(15-26-24(25)5-3-13-34-26)38-27-11-8-21(17-35-27)29(30,31)32/h2-5,8,11-17,22H,6-7,9-10H2,1H3,(H,36,37)/b19-18-.
What are the key properties of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?
N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).