methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate

C15H20N2O3 — CID 170993372

IUPACmethyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)13-9-5-8-12(17-13)14(18)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,18)
InChIKeyBWEWIGMMBQLIBC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds4

About methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate

methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate (PubChem CID 170993372) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
PubChem CID170993372
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)13-9-5-8-12(17-13)14(18)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,18)
InChIKeyBWEWIGMMBQLIBC-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71888558
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate (CID 170993372) is methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NCC2CCCCC2)n1.
What is the InChIKey of methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is BWEWIGMMBQLIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)13-9-5-8-12(17-13)14(18)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,18).
What are the key properties of methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate?
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 170993372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).