1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid

C19H22N2O4 — CID 120539861

IUPAC1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C19H22N2O4/c1-13-14(8-9-15(20-13)16-7-6-12-25-16)17(22)21(2)19(18(23)24)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyPSLHMHJZJSQXQK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.51
Rot. Bonds4

About 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid

1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539861) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539861
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C19H22N2O4/c1-13-14(8-9-15(20-13)16-7-6-12-25-16)17(22)21(2)19(18(23)24)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyPSLHMHJZJSQXQK-UHFFFAOYSA-N
XLogP3.51
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120540042
2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 120521980
6-(furan-2-yl)-2-methyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119823721
2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348060
1-[1-benzofuran-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539512
6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119430450
(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288
6-(furan-2-yl)-2-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500830
N-ethyl-6-(furan-2-yl)-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-3-carboxamide
CID 95296137
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120539861) is 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid is Cc1nc(-c2ccco2)ccc1C(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is PSLHMHJZJSQXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-14(8-9-15(20-13)16-7-6-12-25-16)17(22)21(2)19(18(23)24)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).