6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C26H25F3N4O2 — CID 89463648

IUPAC6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1nc(Oc2cccc(C=C3CCC(NC(=O)c4ccc(N)nc4)CC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O2/c1-16-22(26(27,28)29)10-12-24(32-16)35-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)33-25(34)19-7-11-23(30)31-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,30,31)(H,33,34)/b17-13-
InChIKeyCHLSIMSOKXDUTL-LGMDPLHJSA-N
MW482.51 g/mol
LogP5.93
Rot. Bonds5

About 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463648) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463648
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1nc(Oc2cccc(C=C3CCC(NC(=O)c4ccc(N)nc4)CC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O2/c1-16-22(26(27,28)29)10-12-24(32-16)35-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)33-25(34)19-7-11-23(30)31-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,30,31)(H,33,34)/b17-13-
InChIKeyCHLSIMSOKXDUTL-LGMDPLHJSA-N
XLogP5.93
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463648) is 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cc1nc(Oc2cccc(C=C3CCC(NC(=O)c4ccc(N)nc4)CC3)c2)ccc1C(F)(F)F.
What is the InChIKey of 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is CHLSIMSOKXDUTL-LGMDPLHJSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-16-22(26(27,28)29)10-12-24(32-16)35-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)33-25(34)19-7-11-23(30)31-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,30,31)(H,33,34)/b17-13-.
What are the key properties of 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).