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

C14H15N3O2 — CID 63068120

IUPAC3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccncc1)Cc1cccnc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-17(9-11-4-7-15-8-5-11)10-12-3-2-6-16-13(12)14(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyGIGWQFLLNIZULE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds5

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

3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63068120) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63068120
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccncc1)Cc1cccnc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-17(9-11-4-7-15-8-5-11)10-12-3-2-6-16-13(12)14(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyGIGWQFLLNIZULE-UHFFFAOYSA-N
XLogP1.81
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
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2-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid
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acetic acid;3-ethylpyridine-2-carboxylic acid
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3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63073137
3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 43564388
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
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3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 82754485

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid (CID 63068120) is 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid is CN(Cc1ccncc1)Cc1cccnc1C(=O)O.
What is the InChIKey of 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is GIGWQFLLNIZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(9-11-4-7-15-8-5-11)10-12-3-2-6-16-13(12)14(18)19/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63068120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).