5-(propan-2-ylamino)pyridine-3-carboxylic acid

C9H12N2O2 — CID 79694248

IUPAC5-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-6(2)11-8-3-7(9(12)13)4-10-5-8/h3-6,11H,1-2H3,(H,12,13)
InChIKeyODLDPOVHMWSPIH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.60
Rot. Bonds3

About 5-(propan-2-ylamino)pyridine-3-carboxylic acid

5-(propan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 79694248) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(propan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(propan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID79694248
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-6(2)11-8-3-7(9(12)13)4-10-5-8/h3-6,11H,1-2H3,(H,12,13)
InChIKeyODLDPOVHMWSPIH-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
CID 82535240
5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 23390748
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 113457986
3-(methylamino)-5-(propan-2-ylamino)benzoic acid
CID 129261786
N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223552
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
CID 114814582
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(propan-2-ylamino)pyridine-3-carboxylic acid (CID 79694248) is 5-(propan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(propan-2-ylamino)pyridine-3-carboxylic acid is CC(C)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is ODLDPOVHMWSPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)11-8-3-7(9(12)13)4-10-5-8/h3-6,11H,1-2H3,(H,12,13).
What are the key properties of 5-(propan-2-ylamino)pyridine-3-carboxylic acid?
5-(propan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 79694248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).