methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate

C17H24N2O3 — CID 71087944

IUPACmethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1
InChIInChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyDZGKWTMIOHTIAJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.81
Rot. Bonds4

About methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate

methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate (PubChem CID 71087944) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate
PubChem CID71087944
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1
InChIInChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyDZGKWTMIOHTIAJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 1010589
6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
CID 44602524
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
CID 151280401
6-benzyl-2-N-methyl-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 152105256
N2,N6-Bis(2-methylphenyl)-2,6-pyridinedicarboxamide
CID 766586
N~2~,N~6~-bis(3-methylphenyl)-2,6-pyridinedicarboxamide
CID 790215
Pyridine-2,6-dicarboxylic acid bis-(phenethyl-amide)
CID 1095055
2-[(6-Cyclohexyl-pyridine-2-carbonyl)-amino]-cyclohexanecarboxylic acid methyl ester
CID 71087556
6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 71087622
(S)-2-{[5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carbonyl]-amino}-4-methyl-pentanoic acid
CID 71087637
Methyl 2-(6-(2-chlorophenyl)picolinamido)-2-methylpropanoate
CID 71087695

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate (CID 71087944) is methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1.
What is the InChIKey of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The InChIKey is DZGKWTMIOHTIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate has a molecular weight of 304.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 71087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).