methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate

C12H18N4O3 — CID 106917726

IUPACmethyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
SMILESCNC(=O)CCN(C)c1nccc(C(=O)OC)c1N
InChIInChI=1S/C12H18N4O3/c1-14-9(17)5-7-16(2)11-10(13)8(4-6-15-11)12(18)19-3/h4,6H,5,7,13H2,1-3H3,(H,14,17)
InChIKeyAYNVACFNHRCTMM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.02
Rot. Bonds5

About methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate

methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate (PubChem CID 106917726) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
PubChem CID106917726
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
SMILESCNC(=O)CCN(C)c1nccc(C(=O)OC)c1N
InChIInChI=1S/C12H18N4O3/c1-14-9(17)5-7-16(2)11-10(13)8(4-6-15-11)12(18)19-3/h4,6H,5,7,13H2,1-3H3,(H,14,17)
InChIKeyAYNVACFNHRCTMM-UHFFFAOYSA-N
XLogP0.02
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
ethyl 3-amino-2-[methyl(2-methylsulfanylethyl)amino]pyridine-4-carboxylate
CID 112663485
3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106914177
methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
CID 79309782
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
methyl 2-amino-4-fluoro-5-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzoate
CID 106917729
3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
CID 81061551
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
CID 106914206
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate (CID 106917726) is methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate is CNC(=O)CCN(C)c1nccc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate?
The InChIKey is AYNVACFNHRCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-14-9(17)5-7-16(2)11-10(13)8(4-6-15-11)12(18)19-3/h4,6H,5,7,13H2,1-3H3,(H,14,17).
What are the key properties of methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate?
methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 106917726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).