2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid

C14H13N3O3 — CID 107339387

IUPAC2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2cccnc2)cn1
InChIInChI=1S/C14H13N3O3/c18-13(6-10-2-1-5-15-8-10)17-12-4-3-11(16-9-12)7-14(19)20/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20)
InChIKeyBMQHZJKCYKQIIN-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.28
Rot. Bonds5

About 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107339387) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
PubChem CID107339387
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2cccnc2)cn1
InChIInChI=1S/C14H13N3O3/c18-13(6-10-2-1-5-15-8-10)17-12-4-3-11(16-9-12)7-14(19)20/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20)
InChIKeyBMQHZJKCYKQIIN-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
CID 66868100
CID 66868100
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid (CID 107339387) is 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Cc2cccnc2)cn1.
What is the InChIKey of 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is BMQHZJKCYKQIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(6-10-2-1-5-15-8-10)17-12-4-3-11(16-9-12)7-14(19)20/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 271.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).