methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate

C12H19N3O2 — CID 113367705

IUPACmethyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
SMILESCNc1cc(NC(C(=O)OC)C(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-8(2)11(12(16)17-4)15-9-5-6-14-10(7-9)13-3/h5-8,11H,1-4H3,(H2,13,14,15)
InChIKeyNLMCRFASWCEZSN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.73
Rot. Bonds5

About methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate

methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate (PubChem CID 113367705) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
PubChem CID113367705
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
SMILESCNc1cc(NC(C(=O)OC)C(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-8(2)11(12(16)17-4)15-9-5-6-14-10(7-9)13-3/h5-8,11H,1-4H3,(H2,13,14,15)
InChIKeyNLMCRFASWCEZSN-UHFFFAOYSA-N
XLogP1.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
2-[(2-hydrazinyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106347658
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
CID 80811711
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
methyl 2-(4-carbamothioyl-3-chloroanilino)-3-methylbutanoate
CID 62949139
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
CID 114011567
2-(methylamino)pyridine-4-carboxamide
CID 45084294

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate (CID 113367705) is methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate is CNc1cc(NC(C(=O)OC)C(C)C)ccn1.
What is the InChIKey of methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate?
The InChIKey is NLMCRFASWCEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11(12(16)17-4)15-9-5-6-14-10(7-9)13-3/h5-8,11H,1-4H3,(H2,13,14,15).
What are the key properties of methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate?
methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate is sourced from PubChem (CID 113367705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).