2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid

C13H19N3O3 — CID 43517392

IUPAC2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
SMILESCCN(CC)C(=O)c1cc(NC(C)C(=O)O)ccn1
InChIInChI=1S/C13H19N3O3/c1-4-16(5-2)12(17)11-8-10(6-7-14-11)15-9(3)13(18)19/h6-9H,4-5H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyOTFRAWMYJIWCEX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.45
Rot. Bonds6

About 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid

2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid (PubChem CID 43517392) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
PubChem CID43517392
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
SMILESCCN(CC)C(=O)c1cc(NC(C)C(=O)O)ccn1
InChIInChI=1S/C13H19N3O3/c1-4-16(5-2)12(17)11-8-10(6-7-14-11)15-9(3)13(18)19/h6-9H,4-5H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyOTFRAWMYJIWCEX-UHFFFAOYSA-N
XLogP1.45
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
CID 62006426
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid (CID 43517392) is 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid is CCN(CC)C(=O)c1cc(NC(C)C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The InChIKey is OTFRAWMYJIWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16(5-2)12(17)11-8-10(6-7-14-11)15-9(3)13(18)19/h6-9H,4-5H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 43517392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).