N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide

C19H20F3N3O — CID 113034806

IUPACN-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2C(F)(F)F)cn1)C1CCCCC1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-8-4-5-9-16(15)24-14-10-11-17(23-12-14)25-18(26)13-6-2-1-3-7-13/h4-5,8-13,24H,1-3,6-7H2,(H,23,25,26)
InChIKeyJYLYTYBQWRVBHE-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.36
Rot. Bonds4

About N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide

N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113034806) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113034806
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2C(F)(F)F)cn1)C1CCCCC1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-8-4-5-9-16(15)24-14-10-11-17(23-12-14)25-18(26)13-6-2-1-3-7-13/h4-5,8-13,24H,1-3,6-7H2,(H,23,25,26)
InChIKeyJYLYTYBQWRVBHE-UHFFFAOYSA-N
XLogP5.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
CID 113036586
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
CID 113032920

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide (CID 113034806) is N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(Nc2ccccc2C(F)(F)F)cn1)C1CCCCC1.
What is the InChIKey of N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is JYLYTYBQWRVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-8-4-5-9-16(15)24-14-10-11-17(23-12-14)25-18(26)13-6-2-1-3-7-13/h4-5,8-13,24H,1-3,6-7H2,(H,23,25,26).
What are the key properties of N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide?
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 363.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113034806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).