6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid

C13H16N4O2 — CID 122047981

IUPAC6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
SMILESCn1cc(CCCNc2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C13H16N4O2/c1-17-9-10(8-15-17)4-3-7-14-12-6-2-5-11(16-12)13(18)19/h2,5-6,8-9H,3-4,7H2,1H3,(H,14,16)(H,18,19)
InChIKeyUSIFBYPNRPBUKG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.56
Rot. Bonds6

About 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid

6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid (PubChem CID 122047981) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
PubChem CID122047981
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
SMILESCn1cc(CCCNc2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C13H16N4O2/c1-17-9-10(8-15-17)4-3-7-14-12-6-2-5-11(16-12)13(18)19/h2,5-6,8-9H,3-4,7H2,1H3,(H,14,16)(H,18,19)
InChIKeyUSIFBYPNRPBUKG-UHFFFAOYSA-N
XLogP1.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.56
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

6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239806
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 135096608
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid
CID 122049318
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid (CID 122047981) is 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid is Cn1cc(CCCNc2cccc(C(=O)O)n2)cn1.
What is the InChIKey of 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid?
The InChIKey is USIFBYPNRPBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-9-10(8-15-17)4-3-7-14-12-6-2-5-11(16-12)13(18)19/h2,5-6,8-9H,3-4,7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid?
6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).