1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C16H19F3N2O3 — CID 120540042

IUPAC1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19F3N2O3/c1-10-11(6-7-12(20-10)16(17,18)19)13(22)21(2)15(14(23)24)8-4-3-5-9-15/h6-7H,3-5,8-9H2,1-2H3,(H,23,24)
InChIKeyNHSMRQDNDJXMND-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.27
Rot. Bonds3

About 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120540042) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120540042
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19F3N2O3/c1-10-11(6-7-12(20-10)16(17,18)19)13(22)21(2)15(14(23)24)8-4-3-5-9-15/h6-7H,3-5,8-9H2,1-2H3,(H,23,24)
InChIKeyNHSMRQDNDJXMND-UHFFFAOYSA-N
XLogP3.27
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539861
N,2-dimethyl-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69435136
N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843308
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
1-[(2-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539755
1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540293
4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119251954
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581336
1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 130573712
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119218100
1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540320

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 120540042) is 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NHSMRQDNDJXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10-11(6-7-12(20-10)16(17,18)19)13(22)21(2)15(14(23)24)8-4-3-5-9-15/h6-7H,3-5,8-9H2,1-2H3,(H,23,24).
What are the key properties of 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 344.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).