2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid

C13H13N3O2 — CID 114956408

IUPAC2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
SMILESCc1ccncc1CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H13N3O2/c1-9-2-4-14-7-11(9)8-16-12-6-10(13(17)18)3-5-15-12/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIPYZDAFHMYSDPU-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds4

About 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid

2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114956408) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
PubChem CID114956408
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
SMILESCc1ccncc1CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H13N3O2/c1-9-2-4-14-7-11(9)8-16-12-6-10(13(17)18)3-5-15-12/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIPYZDAFHMYSDPU-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-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
3-bromo-4-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114957587
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 79242317
2-amino-3-methyl-5-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114954612
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid (CID 114956408) is 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid is Cc1ccncc1CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is IPYZDAFHMYSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-2-4-14-7-11(9)8-16-12-6-10(13(17)18)3-5-15-12/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid?
2-[(4-methyl-3-pyridinyl)methylamino]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-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114956408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).