5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid

C11H17N3O2 — CID 115490686

IUPAC5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
SMILESCC(CNc1ccc(C(=O)O)nc1)N(C)C
InChIInChI=1S/C11H17N3O2/c1-8(14(2)3)6-12-9-4-5-10(11(15)16)13-7-9/h4-5,7-8,12H,6H2,1-3H3,(H,15,16)
InChIKeyMGSLKFBBPMTBEE-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds5

About 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid

5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid (PubChem CID 115490686) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
PubChem CID115490686
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
SMILESCC(CNc1ccc(C(=O)O)nc1)N(C)C
InChIInChI=1S/C11H17N3O2/c1-8(14(2)3)6-12-9-4-5-10(11(15)16)13-7-9/h4-5,7-8,12H,6H2,1-3H3,(H,15,16)
InChIKeyMGSLKFBBPMTBEE-UHFFFAOYSA-N
XLogP1.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
5-(ethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 104639848
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid (CID 115490686) is 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid is CC(CNc1ccc(C(=O)O)nc1)N(C)C.
What is the InChIKey of 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
The InChIKey is MGSLKFBBPMTBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(14(2)3)6-12-9-4-5-10(11(15)16)13-7-9/h4-5,7-8,12H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).