2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid

C15H15N3O3 — CID 107339523

IUPAC2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCc1cccc(NC(=O)Nc2ccc(CC(=O)O)nc2)c1
InChIInChI=1S/C15H15N3O3/c1-10-3-2-4-12(7-10)17-15(21)18-13-6-5-11(16-9-13)8-14(19)20/h2-7,9H,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLYMXZPUZJFTZNM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid

2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107339523) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107339523
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCc1cccc(NC(=O)Nc2ccc(CC(=O)O)nc2)c1
InChIInChI=1S/C15H15N3O3/c1-10-3-2-4-12(7-10)17-15(21)18-13-6-5-11(16-9-13)8-14(19)20/h2-7,9H,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLYMXZPUZJFTZNM-UHFFFAOYSA-N
XLogP2.66
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid (CID 107339523) is 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid is Cc1cccc(NC(=O)Nc2ccc(CC(=O)O)nc2)c1.
What is the InChIKey of 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is LYMXZPUZJFTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-3-2-4-12(7-10)17-15(21)18-13-6-5-11(16-9-13)8-14(19)20/h2-7,9H,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).