2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid

C15H15N3O3 — CID 107340396

IUPAC2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
SMILESCN(C(=O)Nc1ccc(CC(=O)O)nc1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-18(13-5-3-2-4-6-13)15(21)17-12-8-7-11(16-10-12)9-14(19)20/h2-8,10H,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQUDDRXLTQZQHQT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.38
Rot. Bonds4

About 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid

2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107340396) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
PubChem CID107340396
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
SMILESCN(C(=O)Nc1ccc(CC(=O)O)nc1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-18(13-5-3-2-4-6-13)15(21)17-12-8-7-11(16-10-12)9-14(19)20/h2-8,10H,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQUDDRXLTQZQHQT-UHFFFAOYSA-N
XLogP2.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340505
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid (CID 107340396) is 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid is CN(C(=O)Nc1ccc(CC(=O)O)nc1)c1ccccc1.
What is the InChIKey of 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is QUDDRXLTQZQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(13-5-3-2-4-6-13)15(21)17-12-8-7-11(16-10-12)9-14(19)20/h2-8,10H,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).