6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid

C13H15N3O3 — CID 122058014

IUPAC6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid
SMILESCCCc1ncc(CNc2cccc(C(=O)O)n2)o1
InChIInChI=1S/C13H15N3O3/c1-2-4-12-15-8-9(19-12)7-14-11-6-3-5-10(16-11)13(17)18/h3,5-6,8H,2,4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyNSVNELGFXVBEJN-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.33
Rot. Bonds6

About 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid

6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 122058014) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID122058014
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid
SMILESCCCc1ncc(CNc2cccc(C(=O)O)n2)o1
InChIInChI=1S/C13H15N3O3/c1-2-4-12-15-8-9(19-12)7-14-11-6-3-5-10(16-11)13(17)18/h3,5-6,8H,2,4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyNSVNELGFXVBEJN-UHFFFAOYSA-N
XLogP2.33
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 114180453
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106373120
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
CID 115016405
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
CID 122053203
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122052746

Frequently Asked Questions

What is the IUPAC name of 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid (CID 122058014) is 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid is CCCc1ncc(CNc2cccc(C(=O)O)n2)o1.
What is the InChIKey of 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is NSVNELGFXVBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-4-12-15-8-9(19-12)7-14-11-6-3-5-10(16-11)13(17)18/h3,5-6,8H,2,4,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid?
6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122058014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).