6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid

C14H15N3O2 — CID 81232216

IUPAC6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2ccccn2)c(C(=O)O)cn1
InChIInChI=1S/C14H15N3O2/c1-10-7-13(12(8-16-10)14(18)19)17(2)9-11-5-3-4-6-15-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJYYLFCNNNHIIPW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds4

About 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid

6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81232216) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID81232216
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2ccccn2)c(C(=O)O)cn1
InChIInChI=1S/C14H15N3O2/c1-10-7-13(12(8-16-10)14(18)19)17(2)9-11-5-3-4-6-15-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJYYLFCNNNHIIPW-UHFFFAOYSA-N
XLogP2.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 81232216) is 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid is Cc1cc(N(C)Cc2ccccn2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is JYYLFCNNNHIIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-7-13(12(8-16-10)14(18)19)17(2)9-11-5-3-4-6-15-11/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81232216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).