5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid

C11H10N4O3 — CID 63153723

IUPAC5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCn1cc(C(=O)Nc2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C11H10N4O3/c1-15-6-8(4-13-15)10(16)14-9-2-7(11(17)18)3-12-5-9/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyHDLYMASRMBPHQJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.77
Rot. Bonds3

About 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid

5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63153723) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63153723
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCn1cc(C(=O)Nc2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C11H10N4O3/c1-15-6-8(4-13-15)10(16)14-9-2-7(11(17)18)3-12-5-9/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyHDLYMASRMBPHQJ-UHFFFAOYSA-N
XLogP0.77
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Aminonicotinic Acid
CID 354316
5-(Methylamino)pyridine-3-carboxylic acid
CID 2050103
5-(Dimethylamino)pyridine-3-carboxylic acid
CID 2050105
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
5-(2-Mercaptomethyl-propionamido)-nicotinic acid
CID 20275393
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
5-(Boc-amino)nicotinic acid
CID 22266154
5-(1H-1,2,3-triazol-1-yl)pyridine-3-carboxylic acid
CID 84662425
4-(2,2-Dimethylpropanamido)pyridine-3-carboxylic acid
CID 2779729
5-(4-Methyl-3,5-diphenylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 68329464
4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid
CID 142411601
US10138222, Example 48
CID 134325357

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid (CID 63153723) is 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid is Cn1cc(C(=O)Nc2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is HDLYMASRMBPHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-15-6-8(4-13-15)10(16)14-9-2-7(11(17)18)3-12-5-9/h2-6H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).