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

C19H29N3O3 — CID 2471449

IUPACethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C
InChIInChI=1S/C19H29N3O3/c1-5-22(15-10-8-7-9-11-15)19(24)21-17-12-16(18(23)25-6-2)13(3)20-14(17)4/h12,15H,5-11H2,1-4H3,(H,21,24)
InChIKeyHHZTWPZPZLDNAK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.06
Rot. Bonds5

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

ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate (PubChem CID 2471449) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
PubChem CID2471449
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C
InChIInChI=1S/C19H29N3O3/c1-5-22(15-10-8-7-9-11-15)19(24)21-17-12-16(18(23)25-6-2)13(3)20-14(17)4/h12,15H,5-11H2,1-4H3,(H,21,24)
InChIKeyHHZTWPZPZLDNAK-UHFFFAOYSA-N
XLogP4.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.06
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-{[cyclohexyl(methyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
CID 9459724
Ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746249
Ethyl 2,6-dimethyl-5-[(4-morpholinylcarbonyl)amino]nicotinate
CID 2947802

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate (CID 2471449) is ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C.
What is the InChIKey of ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is HHZTWPZPZLDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-22(15-10-8-7-9-11-15)19(24)21-17-12-16(18(23)25-6-2)13(3)20-14(17)4/h12,15H,5-11H2,1-4H3,(H,21,24).
What are the key properties of ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 2471449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).