2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid

C13H16N4O2 — CID 113378590

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H16N4O2/c1-9-5-11(13(18)19)6-12(15-9)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyQJBNUIAPANGECN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.79
Rot. Bonds5

About 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid

2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid (PubChem CID 113378590) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
PubChem CID113378590
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H16N4O2/c1-9-5-11(13(18)19)6-12(15-9)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyQJBNUIAPANGECN-UHFFFAOYSA-N
XLogP1.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 63185406
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile
CID 63884271
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216
4-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoic acid
CID 107452763
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
CID 114765268

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid (CID 113378590) is 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(NC(C)Cn2ccnc2)n1.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid?
The InChIKey is QJBNUIAPANGECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-5-11(13(18)19)6-12(15-9)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid?
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113378590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).