2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid

C14H13N3O4 — CID 63773250

IUPAC2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H13N3O4/c18-13(19)9-21-12-5-3-10(4-6-12)16-14(20)17-11-2-1-7-15-8-11/h1-8H,9H2,(H,18,19)(H2,16,17,20)
InChIKeyBCWLJSLDWKYOCA-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid

2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63773250) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
PubChem CID63773250
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H13N3O4/c18-13(19)9-21-12-5-3-10(4-6-12)16-14(20)17-11-2-1-7-15-8-11/h1-8H,9H2,(H,18,19)(H2,16,17,20)
InChIKeyBCWLJSLDWKYOCA-UHFFFAOYSA-N
XLogP2.19
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
1-(4-phenacyloxyphenyl)-3-phenylurea
CID 172640057
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid (CID 63773250) is 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is BCWLJSLDWKYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(19)9-21-12-5-3-10(4-6-12)16-14(20)17-11-2-1-7-15-8-11/h1-8H,9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid?
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63773250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).