ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate

C21H31N3O4 — CID 55982184

IUPACethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NC2(C(=O)N(CC)CC)CCCCC2)nc1C
InChIInChI=1S/C21H31N3O4/c1-5-24(6-2)20(27)21(13-9-8-10-14-21)23-18(25)17-12-11-16(15(4)22-17)19(26)28-7-3/h11-12H,5-10,13-14H2,1-4H3,(H,23,25)
InChIKeySXTXGSNZKGUOSR-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.87
Rot. Bonds7

About ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55982184) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55982184
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Nameethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NC2(C(=O)N(CC)CC)CCCCC2)nc1C
InChIInChI=1S/C21H31N3O4/c1-5-24(6-2)20(27)21(13-9-8-10-14-21)23-18(25)17-12-11-16(15(4)22-17)19(26)28-7-3/h11-12H,5-10,13-14H2,1-4H3,(H,23,25)
InChIKeySXTXGSNZKGUOSR-UHFFFAOYSA-N
XLogP2.87
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate
CID 55632052
4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
CID 55979927
N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47068312
4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
CID 55982692
ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 55982175
1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55981090
ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55889019
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
ethyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600641
ethyl 6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632477
N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
CID 55983584

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55982184) is ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)NC2(C(=O)N(CC)CC)CCCCC2)nc1C.
What is the InChIKey of ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is SXTXGSNZKGUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-5-24(6-2)20(27)21(13-9-8-10-14-21)23-18(25)17-12-11-16(15(4)22-17)19(26)28-7-3/h11-12H,5-10,13-14H2,1-4H3,(H,23,25).
What are the key properties of ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55982184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).