2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid

C14H23N3O2 — CID 113380228

IUPAC2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NCC(C)N(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)12-6-11(14(18)19)7-13(16-12)15-8-10(3)17(4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)(H,18,19)
InChIKeyNEMCQHXZZUJFBI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.27
Rot. Bonds6

About 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 113380228) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID113380228
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NCC(C)N(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)12-6-11(14(18)19)7-13(16-12)15-8-10(3)17(4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)(H,18,19)
InChIKeyNEMCQHXZZUJFBI-UHFFFAOYSA-N
XLogP2.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106034851
2-propan-2-yl-6-(2-prop-2-enylsulfanylethylamino)pyridine-4-carboxylic acid
CID 106429356
2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114700707
2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380308
2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113485557
3-[2-(dimethylamino)propylsulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 61043671
2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113379620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 113380228) is 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(NCC(C)N(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is NEMCQHXZZUJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)12-6-11(14(18)19)7-13(16-12)15-8-10(3)17(4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).