ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate

C14H22N2O2 — CID 54950402

IUPACethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(C)C(C)CC
InChIInChI=1S/C14H22N2O2/c1-5-10(3)11(4)16-13-12(8-7-9-15-13)14(17)18-6-2/h7-11H,5-6H2,1-4H3,(H,15,16)
InChIKeySKHQVPDNQPDYSE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds6

About ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate

ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate (PubChem CID 54950402) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
PubChem CID54950402
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(C)C(C)CC
InChIInChI=1S/C14H22N2O2/c1-5-10(3)11(4)16-13-12(8-7-9-15-13)14(17)18-6-2/h7-11H,5-6H2,1-4H3,(H,15,16)
InChIKeySKHQVPDNQPDYSE-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61480191
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
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ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
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ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate
CID 61042919
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 79233496
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
CID 104695418
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate (CID 54950402) is ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(C)C(C)CC.
What is the InChIKey of ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate?
The InChIKey is SKHQVPDNQPDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-10(3)11(4)16-13-12(8-7-9-15-13)14(17)18-6-2/h7-11H,5-6H2,1-4H3,(H,15,16).
What are the key properties of ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate?
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 54950402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).