2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid

C14H23N3O2 — CID 114139075

IUPAC2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)17(4)7-5-6-15-13-9-12(14(18)19)8-11(3)16-13/h8-10H,5-7H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyBFBLZGKDAPUJHN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid

2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid (PubChem CID 114139075) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
PubChem CID114139075
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)17(4)7-5-6-15-13-9-12(14(18)19)8-11(3)16-13/h8-10H,5-7H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyBFBLZGKDAPUJHN-UHFFFAOYSA-N
XLogP2.23
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-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

2-(Methylamino)pyridine-4-carboxylic acid
CID 6484235
6-(Pentan-3-ylamino)nicotinic acid
CID 28400056
6-Methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 14929599
2,6-Diaminopyridine-4-carboxylic acid
CID 236987
2-(Ethylamino)pyridine-4-carboxylic acid
CID 23454818
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(piperazin-1-yl)isonicotinic acid
CID 44592218
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(piperidin-1-yl)isonicotinic acid
CID 44592219
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(pyrrolidin-1-yl)isonicotinic acid
CID 44592258
2-((4-Fluoro-2-methylphenylamino)methyl)-6-((2-hydroxyethyl)(methyl)amino)isonicotinic acid
CID 44592260
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(2-hydroxyethylamino)isonicotinic acid
CID 44592261
2-(Bis(2-hydroxyethyl)amino)-6-((4-fluoro-2-methylphenylamino)methyl)isonicotinic acid
CID 44592262
2-(2-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43176701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid (CID 114139075) is 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(NCCCN(C)C(C)C)n1.
What is the InChIKey of 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
The InChIKey is BFBLZGKDAPUJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17(4)7-5-6-15-13-9-12(14(18)19)8-11(3)16-13/h8-10H,5-7H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114139075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).