4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid

C12H13N3O3 — CID 106377654

IUPAC4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cnc(CNc2nccc(C)c2C(=O)O)o1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-13-11(10(7)12(16)17)15-6-9-14-5-8(2)18-9/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYYTVSYOZJYIQEB-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.00
Rot. Bonds4

About 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid

4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 106377654) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID106377654
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cnc(CNc2nccc(C)c2C(=O)O)o1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-13-11(10(7)12(16)17)15-6-9-14-5-8(2)18-9/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYYTVSYOZJYIQEB-UHFFFAOYSA-N
XLogP2.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
CID 106377656
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106373085
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 106373101
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
CID 115327372
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid (CID 106377654) is 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid is Cc1cnc(CNc2nccc(C)c2C(=O)O)o1.
What is the InChIKey of 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is YYTVSYOZJYIQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-13-11(10(7)12(16)17)15-6-9-14-5-8(2)18-9/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid?
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106377654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).