5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid

C14H21N3O4 — CID 114518085

IUPAC5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-8-4-7-15-10-5-6-11(12(18)19)17-9-10/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGWRUWJKQIPTHLJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.11
Rot. Bonds6

About 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid

5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid (PubChem CID 114518085) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
PubChem CID114518085
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-8-4-7-15-10-5-6-11(12(18)19)17-9-10/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGWRUWJKQIPTHLJ-UHFFFAOYSA-N
XLogP2.11
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic 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

tert-butyl N-[3-[(6-fluoro-3-pyridinyl)amino]propyl]carbamate
CID 107095376
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
tert-butyl N-[3-[4-(triazol-2-yl)anilino]propyl]carbamate
CID 103821842
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
tert-butyl N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623
tert-butyl N-[3-[4-(2-methoxyethoxy)anilino]propyl]carbamate
CID 103821818
tert-butyl N-[3-[4-(methylcarbamoyl)anilino]propyl]carbamate
CID 103821711
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639
tert-butyl N-[3-[(5-iodopyrimidin-2-yl)amino]propyl]carbamate
CID 104843546
tert-butyl N-[3-(3-bromo-4-fluoroanilino)propyl]carbamate
CID 104776214

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid (CID 114518085) is 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)NCCCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid?
The InChIKey is GWRUWJKQIPTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-8-4-7-15-10-5-6-11(12(18)19)17-9-10/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid?
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114518085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).