2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid

C15H15N3O3 — CID 62534222

IUPAC2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H15N3O3/c19-14(20)8-12-5-1-2-6-13(12)18-15(21)17-10-11-4-3-7-16-9-11/h1-7,9H,8,10H2,(H,19,20)(H2,17,18,21)
InChIKeyLWDKFKVRKLYLRQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid

2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid (PubChem CID 62534222) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
PubChem CID62534222
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H15N3O3/c19-14(20)8-12-5-1-2-6-13(12)18-15(21)17-10-11-4-3-7-16-9-11/h1-7,9H,8,10H2,(H,19,20)(H2,17,18,21)
InChIKeyLWDKFKVRKLYLRQ-UHFFFAOYSA-N
XLogP2.03
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
2-methyl-3-(pyridin-3-ylmethylcarbamoylamino)benzoic acid
CID 62948416
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47032706
1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
CID 66868100
CID 66868100
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid (CID 62534222) is 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is LWDKFKVRKLYLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(20)8-12-5-1-2-6-13(12)18-15(21)17-10-11-4-3-7-16-9-11/h1-7,9H,8,10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid?
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 62534222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).