6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid

C13H16N4O2 — CID 74233804

IUPAC6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cnc(CN(C)Cc2cccc(C(=O)O)n2)[nH]1
InChIInChI=1S/C13H16N4O2/c1-9-6-14-12(15-9)8-17(2)7-10-4-3-5-11(16-10)13(18)19/h3-6H,7-8H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYZRKRDWZQJRGGG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.44
Rot. Bonds5

About 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid

6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 74233804) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID74233804
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cnc(CN(C)Cc2cccc(C(=O)O)n2)[nH]1
InChIInChI=1S/C13H16N4O2/c1-9-6-14-12(15-9)8-17(2)7-10-4-3-5-11(16-10)13(18)19/h3-6H,7-8H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYZRKRDWZQJRGGG-UHFFFAOYSA-N
XLogP1.44
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904043
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 77080785
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885257
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 28956274

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid (CID 74233804) is 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid is Cc1cnc(CN(C)Cc2cccc(C(=O)O)n2)[nH]1.
What is the InChIKey of 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is YZRKRDWZQJRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-6-14-12(15-9)8-17(2)7-10-4-3-5-11(16-10)13(18)19/h3-6H,7-8H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 74233804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).