2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid

C13H13N3O2 — CID 113378528

IUPAC2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCc2ccccn2)n1
InChIInChI=1S/C13H13N3O2/c1-9-6-10(13(17)18)7-12(16-9)15-8-11-4-2-3-5-14-11/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUUKZTQNDKWBMOA-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid

2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 113378528) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID113378528
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCc2ccccn2)n1
InChIInChI=1S/C13H13N3O2/c1-9-6-10(13(17)18)7-12(16-9)15-8-11-4-2-3-5-14-11/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUUKZTQNDKWBMOA-UHFFFAOYSA-N
XLogP2.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 43343491
2-[3,5-bis[4-carboxy-6-(pyridin-2-ylmethylamino)-2-pyridinyl]cyclohexyl]-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 25125007
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
5-methylbenzene-1,3-dicarboxylic acid;N-(pyridin-2-ylmethyl)-1H-pyrazol-5-amine
CID 174601978
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 113378568
2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid
CID 118909984
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
CID 55107787
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid (CID 113378528) is 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(NCc2ccccn2)n1.
What is the InChIKey of 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is UUKZTQNDKWBMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-6-10(13(17)18)7-12(16-9)15-8-11-4-2-3-5-14-11/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 113378528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).