2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid

C14H18N4O2 — CID 115576441

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
SMILESCc1cc(C)n(CCCNc2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C14H18N4O2/c1-10-8-11(2)18(17-10)7-3-5-15-13-9-12(14(19)20)4-6-16-13/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyHIMLYAWEJGGPGC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.10
Rot. Bonds6

About 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid (PubChem CID 115576441) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
PubChem CID115576441
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
SMILESCc1cc(C)n(CCCNc2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C14H18N4O2/c1-10-8-11(2)18(17-10)7-3-5-15-13-9-12(14(19)20)4-6-16-13/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyHIMLYAWEJGGPGC-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284
3-chloro-4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114541167
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
CID 114537300
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid (CID 115576441) is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid is Cc1cc(C)n(CCCNc2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid?
The InChIKey is HIMLYAWEJGGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-11(2)18(17-10)7-3-5-15-13-9-12(14(19)20)4-6-16-13/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid?
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 115576441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).