6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid

C13H16N4O2 — CID 81243730

IUPAC6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2nccn2C)c(C(=O)O)cn1
InChIInChI=1S/C13H16N4O2/c1-9-6-11(10(7-15-9)13(18)19)17(3)8-12-14-4-5-16(12)2/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyZEGZNCNDXMUSIE-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.46
Rot. Bonds4

About 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid

6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 81243730) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID81243730
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2nccn2C)c(C(=O)O)cn1
InChIInChI=1S/C13H16N4O2/c1-9-6-11(10(7-15-9)13(18)19)17(3)8-12-14-4-5-16(12)2/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyZEGZNCNDXMUSIE-UHFFFAOYSA-N
XLogP1.46
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
CID 81244047
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarbothioamide
CID 63026797
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191
6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
CID 133432083
N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
CID 76982032
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid (CID 81243730) is 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid is Cc1cc(N(C)Cc2nccn2C)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ZEGZNCNDXMUSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-6-11(10(7-15-9)13(18)19)17(3)8-12-14-4-5-16(12)2/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).