4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid

C16H27N3O2 — CID 102994015

IUPAC4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C16H27N3O2/c1-5-18(6-2)9-8-10-19(7-3)15-11-13(4)17-12-14(15)16(20)21/h11-12H,5-10H2,1-4H3,(H,20,21)
InChIKeyJHAOXOVNKIZMQL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.65
Rot. Bonds9

About 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid

4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 102994015) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID102994015
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C16H27N3O2/c1-5-18(6-2)9-8-10-19(7-3)15-11-13(4)17-12-14(15)16(20)21/h11-12H,5-10H2,1-4H3,(H,20,21)
InChIKeyJHAOXOVNKIZMQL-UHFFFAOYSA-N
XLogP2.65
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991366
N-[3-(diethylamino)propyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235857
3-chloro-4-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994616
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid (CID 102994015) is 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid is CCN(CC)CCCN(CC)c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is JHAOXOVNKIZMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-18(6-2)9-8-10-19(7-3)15-11-13(4)17-12-14(15)16(20)21/h11-12H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid?
4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 102994015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).