2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid

C13H13N3O2 — CID 138434740

IUPAC2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(c1cccnc1)c1ccccn1
InChIInChI=1S/C13H13N3O2/c1-10(13(17)18)16(11-5-4-7-14-9-11)12-6-2-3-8-15-12/h2-10H,1H3,(H,17,18)
InChIKeyBTUISUMPPDTYFJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.09
Rot. Bonds4

About 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid

2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid (PubChem CID 138434740) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid
PubChem CID138434740
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(c1cccnc1)c1ccccn1
InChIInChI=1S/C13H13N3O2/c1-10(13(17)18)16(11-5-4-7-14-9-11)12-6-2-3-8-15-12/h2-10H,1H3,(H,17,18)
InChIKeyBTUISUMPPDTYFJ-UHFFFAOYSA-N
XLogP2.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipyridin-2-ylamino)propanoic acid
CID 138338502
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
CID 23450228
N-pyridin-2-yl-N-(pyridin-3-ylcarbamoyl)formamide
CID 173292488
2-pyridin-3-yloxypropanoic acid
CID 22668209
(2S)-2-(N-(4-bromophenyl)anilino)propanoic acid
CID 142700956
N-methyl-N-[(1S)-1-phenylethyl]pyridin-3-amine
CID 124632027
N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide
CID 54071035
2-pyridin-3-yl-2-pyridin-2-yloxyacetic acid
CID 22714120
N-(4-methylphenyl)-N-propan-2-ylpyridin-2-amine
CID 59308598
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
N-phenyl-N-pyridin-3-ylformamide
CID 54269993

Frequently Asked Questions

What is the IUPAC name of 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid (CID 138434740) is 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid is CC(C(=O)O)N(c1cccnc1)c1ccccn1.
What is the InChIKey of 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid?
The InChIKey is BTUISUMPPDTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10(13(17)18)16(11-5-4-7-14-9-11)12-6-2-3-8-15-12/h2-10H,1H3,(H,17,18).
What are the key properties of 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid?
2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyridin-2-yl(pyridin-3-yl)amino]propanoic acid is sourced from PubChem (CID 138434740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).