ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate

C18H27N3O3 — CID 9459724

IUPACethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N(C)C2CCCCC2)c(C)nc1C
InChIInChI=1S/C18H27N3O3/c1-5-24-17(22)15-11-16(13(3)19-12(15)2)20-18(23)21(4)14-9-7-6-8-10-14/h11,14H,5-10H2,1-4H3,(H,20,23)
InChIKeyODYYNVKZVXKVCM-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.67
Rot. Bonds4

About ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate

ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate (PubChem CID 9459724) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
PubChem CID9459724
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N(C)C2CCCCC2)c(C)nc1C
InChIInChI=1S/C18H27N3O3/c1-5-24-17(22)15-11-16(13(3)19-12(15)2)20-18(23)21(4)14-9-7-6-8-10-14/h11,14H,5-10H2,1-4H3,(H,20,23)
InChIKeyODYYNVKZVXKVCM-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Ethyl 5-(3,3-diisopropylureido)-2,6-dimethylnicotinate
CID 2948213
Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate
CID 6466060
Ethyl 4-[(2-aminophenyl)amino]-2,6-dimethylnicotinate
CID 766509
Ethyl 5-(3-(4-bromophenyl)ureido)-2,6-dimethylnicotinate
CID 2139911
ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2377074
Ethyl 5-({[(2-methoxyphenyl)amino]carbonyl}amino)-2,6-dimethylnicotinate
CID 2948721
methyl 2-{[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]amino}benzoate
CID 3237097
ethyl 2-{[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]amino}benzoate
CID 3241563
Ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746249
Ethyl 2,6-dimethyl-5-[(4-morpholinylcarbonyl)amino]nicotinate
CID 2947802
Ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate (CID 9459724) is ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)N(C)C2CCCCC2)c(C)nc1C.
What is the InChIKey of ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is ODYYNVKZVXKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-24-17(22)15-11-16(13(3)19-12(15)2)20-18(23)21(4)14-9-7-6-8-10-14/h11,14H,5-10H2,1-4H3,(H,20,23).
What are the key properties of ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[cyclohexyl(methyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 9459724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).