1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H24N2O4 — CID 120540043

IUPAC1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Oc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cn1
InChIInChI=1S/C17H24N2O4/c1-12(2)23-14-8-7-13(11-18-14)15(20)19(3)17(16(21)22)9-5-4-6-10-17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22)
InChIKeyXOAYOSBPJDCDQH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.73
Rot. Bonds5

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

1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120540043) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120540043
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Oc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cn1
InChIInChI=1S/C17H24N2O4/c1-12(2)23-14-8-7-13(11-18-14)15(20)19(3)17(16(21)22)9-5-4-6-10-17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22)
InChIKeyXOAYOSBPJDCDQH-UHFFFAOYSA-N
XLogP2.73
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

VU0404251
CID 58368068
4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
CID 153835401
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CID 73050968
3-Ethoxycarbonyl-1-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-pyridinium
CID 10959850
2-({[2-(4-Methylphenoxy)pyridin-3-yl]carbonyl}amino)acetic acid
CID 2801072
4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 841534
3-Pyridinecarboxylic acid [4-[heptoxy(oxo)methyl]phenyl] ester
CID 4457075
(4-Isopropylpiperazin-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771245
N-cyclohexyl-6-(cyclopentylmethoxy)nicotinamide
CID 51036923
6-(benzyloxy)-N-cyclohexylpyridine-3-carboxamide
CID 58368075
N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide
CID 58368133
N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368167

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120540043) is 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(C)Oc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cn1.
What is the InChIKey of 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XOAYOSBPJDCDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)23-14-8-7-13(11-18-14)15(20)19(3)17(16(21)22)9-5-4-6-10-17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22).
What are the key properties of 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).