5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid

C14H13N3O3 — CID 81099829

IUPAC5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(Cc1cccnc1)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H13N3O3/c18-13(6-10-2-1-5-15-7-10)17-9-11-3-4-12(14(19)20)16-8-11/h1-5,7-8H,6,9H2,(H,17,18)(H,19,20)
InChIKeyXNGMGEDTGJSLIX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.03
Rot. Bonds5

About 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099829) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099829
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(Cc1cccnc1)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H13N3O3/c18-13(6-10-2-1-5-15-7-10)17-9-11-3-4-12(14(19)20)16-8-11/h1-5,7-8H,6,9H2,(H,17,18)(H,19,20)
InChIKeyXNGMGEDTGJSLIX-UHFFFAOYSA-N
XLogP1.03
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099829) is 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid is O=C(Cc1cccnc1)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XNGMGEDTGJSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(6-10-2-1-5-15-7-10)17-9-11-3-4-12(14(19)20)16-8-11/h1-5,7-8H,6,9H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).