methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate

C13H16N4O3 — CID 106376422

IUPACmethyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCc2nc(C)c(C)o2)ncc1N
InChIInChI=1S/C13H16N4O3/c1-7-8(2)20-12(17-7)6-16-11-4-9(13(18)19-3)10(14)5-15-11/h4-5H,6,14H2,1-3H3,(H,15,16)
InChIKeyCPUYUMQQBZXSHH-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.67
Rot. Bonds4

About methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate

methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate (PubChem CID 106376422) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
PubChem CID106376422
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCc2nc(C)c(C)o2)ncc1N
InChIInChI=1S/C13H16N4O3/c1-7-8(2)20-12(17-7)6-16-11-4-9(13(18)19-3)10(14)5-15-11/h4-5H,6,14H2,1-3H3,(H,15,16)
InChIKeyCPUYUMQQBZXSHH-UHFFFAOYSA-N
XLogP1.67
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 106376452
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 106374178
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114180485
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrazin-2-amine
CID 107268510
2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369962
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106378823

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate (CID 106376422) is methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate is COC(=O)c1cc(NCc2nc(C)c(C)o2)ncc1N.
What is the InChIKey of methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate?
The InChIKey is CPUYUMQQBZXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-8(2)20-12(17-7)6-16-11-4-9(13(18)19-3)10(14)5-15-11/h4-5H,6,14H2,1-3H3,(H,15,16).
What are the key properties of methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate?
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106376422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).