methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate

C13H21N3O2 — CID 113367704

IUPACmethyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
SMILESCCNc1cc(NC(C(=O)OC)C(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-5-14-11-8-10(6-7-15-11)16-12(9(2)3)13(17)18-4/h6-9,12H,5H2,1-4H3,(H2,14,15,16)
InChIKeyJQWJLOMPRWPAAU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.12
Rot. Bonds6

About methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate

methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate (PubChem CID 113367704) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
PubChem CID113367704
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
SMILESCCNc1cc(NC(C(=O)OC)C(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-5-14-11-8-10(6-7-15-11)16-12(9(2)3)13(17)18-4/h6-9,12H,5H2,1-4H3,(H2,14,15,16)
InChIKeyJQWJLOMPRWPAAU-UHFFFAOYSA-N
XLogP2.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
CID 113367705
2-[(2-hydrazinyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106347658
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
CID 113367744
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
CID 80791121
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
CID 114011567
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate (CID 113367704) is methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate is CCNc1cc(NC(C(=O)OC)C(C)C)ccn1.
What is the InChIKey of methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate?
The InChIKey is JQWJLOMPRWPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-14-11-8-10(6-7-15-11)16-12(9(2)3)13(17)18-4/h6-9,12H,5H2,1-4H3,(H2,14,15,16).
What are the key properties of methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate?
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate has a molecular weight of 251.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate is sourced from PubChem (CID 113367704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).