2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid

C14H15N3O2 — CID 114198630

IUPAC2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
SMILESCC(NCc1ncccc1C(=O)O)c1ccccn1
InChIInChI=1S/C14H15N3O2/c1-10(12-6-2-3-7-15-12)17-9-13-11(14(18)19)5-4-8-16-13/h2-8,10,17H,9H2,1H3,(H,18,19)
InChIKeyUFHWPGVUFREWBN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds5

About 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid

2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid (PubChem CID 114198630) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
PubChem CID114198630
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
SMILESCC(NCc1ncccc1C(=O)O)c1ccccn1
InChIInChI=1S/C14H15N3O2/c1-10(12-6-2-3-7-15-12)17-9-13-11(14(18)19)5-4-8-16-13/h2-8,10,17H,9H2,1H3,(H,18,19)
InChIKeyUFHWPGVUFREWBN-UHFFFAOYSA-N
XLogP2.03
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-thiophen-3-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198700
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198751
3-bromo-4-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzoic acid
CID 103258370
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401851
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid (CID 114198630) is 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid is CC(NCc1ncccc1C(=O)O)c1ccccn1.
What is the InChIKey of 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid?
The InChIKey is UFHWPGVUFREWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(12-6-2-3-7-15-12)17-9-13-11(14(18)19)5-4-8-16-13/h2-8,10,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid?
2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).