methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate

C12H19N3O3 — CID 114090411

IUPACmethyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
SMILESCOCCC(C)Nc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C12H19N3O3/c1-8(4-5-17-2)15-11-6-9(12(16)18-3)10(13)7-14-11/h6-8H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyQCUCYJBCEJGSLW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.29
Rot. Bonds6

About methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate

methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate (PubChem CID 114090411) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
PubChem CID114090411
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
SMILESCOCCC(C)Nc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C12H19N3O3/c1-8(4-5-17-2)15-11-6-9(12(16)18-3)10(13)7-14-11/h6-8H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyQCUCYJBCEJGSLW-UHFFFAOYSA-N
XLogP1.29
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-aminopyridine-4-carboxylate
CID 1488824
Methyl 2-aminopyridine-4-carboxylate
CID 236984
Ethyl 2-aminopyridine-4-carboxylate
CID 7015521
Methyl 2-{[(isopropylamino)carbonothioyl]amino}nicotinate
CID 4275504
Methyl 5-acetamido-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156213
Ethyl 5-(benzylamino)-6-(cyclohexylamino)nicotinate
CID 71767809
Ethyl 2-(methylamino)pyridine-3-carboxylate
CID 13466154
2-((3-Hydroxypropyl)amino)-4-pyridinecarboxylic acid
CID 53408821
Methyl 6-hexadecylamino-3-pyridinecarboxylate
CID 20503576
Ethyl 5-amino-6-cyclohexylaminonicotinate
CID 22598045
Methyl 5-(butanoylamino)-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 73295858
3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
CID 3058649

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate (CID 114090411) is methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate is COCCC(C)Nc1cc(C(=O)OC)c(N)cn1.
What is the InChIKey of methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate?
The InChIKey is QCUCYJBCEJGSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(4-5-17-2)15-11-6-9(12(16)18-3)10(13)7-14-11/h6-8H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate?
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114090411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).