6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid

C14H23N3O2 — CID 80631658

IUPAC6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid
SMILESCCCN(CCN(C)C)c1ncc(C(=O)O)cc1C
InChIInChI=1S/C14H23N3O2/c1-5-6-17(8-7-16(3)4)13-11(2)9-12(10-15-13)14(18)19/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyPBORASQVJWHEGC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.87
Rot. Bonds7

About 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid

6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid (PubChem CID 80631658) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid
PubChem CID80631658
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid
SMILESCCCN(CCN(C)C)c1ncc(C(=O)O)cc1C
InChIInChI=1S/C14H23N3O2/c1-5-6-17(8-7-16(3)4)13-11(2)9-12(10-15-13)14(18)19/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyPBORASQVJWHEGC-UHFFFAOYSA-N
XLogP1.87
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid (CID 80631658) is 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid is CCCN(CCN(C)C)c1ncc(C(=O)O)cc1C.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid?
The InChIKey is PBORASQVJWHEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-6-17(8-7-16(3)4)13-11(2)9-12(10-15-13)14(18)19/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid?
6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80631658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).