2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid

C13H20N4O3 — CID 107340627

IUPAC2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
SMILESCC(CNC(=O)Nc1ccc(CC(=O)O)nc1)N(C)C
InChIInChI=1S/C13H20N4O3/c1-9(17(2)3)7-15-13(20)16-11-5-4-10(14-8-11)6-12(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyRYZOEOYVGUCSCV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.78
Rot. Bonds6

About 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid

2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107340627) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107340627
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
SMILESCC(CNC(=O)Nc1ccc(CC(=O)O)nc1)N(C)C
InChIInChI=1S/C13H20N4O3/c1-9(17(2)3)7-15-13(20)16-11-5-4-10(14-8-11)6-12(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyRYZOEOYVGUCSCV-UHFFFAOYSA-N
XLogP0.78
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
3-[4-[2-(dimethylamino)propylcarbamoylamino]phenyl]propanoic acid
CID 115340854
2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
CID 106295042
2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-[5-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340877
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-(but-3-enylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340820
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
CID 107339173
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340802

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid (CID 107340627) is 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid is CC(CNC(=O)Nc1ccc(CC(=O)O)nc1)N(C)C.
What is the InChIKey of 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is RYZOEOYVGUCSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(17(2)3)7-15-13(20)16-11-5-4-10(14-8-11)6-12(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).