6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid

C11H12N4O2 — CID 106904796

IUPAC6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCn1ccc(NCc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C11H12N4O2/c1-15-6-5-10(14-15)12-7-8-3-2-4-9(13-8)11(16)17/h2-6H,7H2,1H3,(H,12,14)(H,16,17)
InChIKeyPRKICFUIEBHQCE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.13
Rot. Bonds4

About 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid

6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904796) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904796
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCn1ccc(NCc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C11H12N4O2/c1-15-6-5-10(14-15)12-7-8-3-2-4-9(13-8)11(16)17/h2-6H,7H2,1H3,(H,12,14)(H,16,17)
InChIKeyPRKICFUIEBHQCE-UHFFFAOYSA-N
XLogP1.13
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
CID 106904433
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
CID 62392134
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103256805

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid (CID 106904796) is 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid is Cn1ccc(NCc2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PRKICFUIEBHQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-6-5-10(14-15)12-7-8-3-2-4-9(13-8)11(16)17/h2-6H,7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid?
6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).