2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid

C10H13N3O3 — CID 107339518

IUPAC2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESCN(C)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-13(2)10(16)12-8-4-3-7(11-6-8)5-9(14)15/h3-4,6H,5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRUDALPQQMAAFLZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.80
Rot. Bonds3

About 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid

2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107339518) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
PubChem CID107339518
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESCN(C)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-13(2)10(16)12-8-4-3-7(11-6-8)5-9(14)15/h3-4,6H,5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRUDALPQQMAAFLZ-UHFFFAOYSA-N
XLogP0.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396
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-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid (CID 107339518) is 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid is CN(C)C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is RUDALPQQMAAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13(2)10(16)12-8-4-3-7(11-6-8)5-9(14)15/h3-4,6H,5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).