2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid

C13H16N4O2 — CID 106042723

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
SMILESCc1ccnc(NCc2cnn(C)c2C)c1C(=O)O
InChIInChI=1S/C13H16N4O2/c1-8-4-5-14-12(11(8)13(18)19)15-6-10-7-16-17(3)9(10)2/h4-5,7H,6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeySDKZNQKIMGMKTP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.74
Rot. Bonds4

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

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid (PubChem CID 106042723) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
PubChem CID106042723
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
SMILESCc1ccnc(NCc2cnn(C)c2C)c1C(=O)O
InChIInChI=1S/C13H16N4O2/c1-8-4-5-14-12(11(8)13(18)19)15-6-10-7-16-17(3)9(10)2/h4-5,7H,6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeySDKZNQKIMGMKTP-UHFFFAOYSA-N
XLogP1.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 114140001
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 106034383
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 103858282
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 106034578
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 106048173
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-difluorobenzoic acid
CID 106042688
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid (CID 106042723) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid is Cc1ccnc(NCc2cnn(C)c2C)c1C(=O)O.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
The InChIKey is SDKZNQKIMGMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-4-5-14-12(11(8)13(18)19)15-6-10-7-16-17(3)9(10)2/h4-5,7H,6H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 106042723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).