6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid

C13H13N3O2 — CID 81232379

IUPAC6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCc2ccncc2)c(C(=O)O)cn1
InChIInChI=1S/C13H13N3O2/c1-9-6-12(11(8-15-9)13(17)18)16-7-10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDBMAYBVCSOBKES-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds4

About 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid

6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 81232379) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID81232379
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCc2ccncc2)c(C(=O)O)cn1
InChIInChI=1S/C13H13N3O2/c1-9-6-12(11(8-15-9)13(17)18)16-7-10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDBMAYBVCSOBKES-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

4-(benzylamino)-6-methylpyridine-3-carboxylic acid;methyl 4-amino-6-methylpyridine-3-carboxylate
CID 159705199
6-methyl-4-[(3-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244731
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244511
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
5-bromo-2-(pyridin-4-ylmethylamino)benzoic acid
CID 58989767
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244751

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid (CID 81232379) is 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid is Cc1cc(NCc2ccncc2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is DBMAYBVCSOBKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-6-12(11(8-15-9)13(17)18)16-7-10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-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 6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).