4-(dipropylamino)-6-methylpyridine-3-carboxylic acid

C13H20N2O2 — CID 81233201

IUPAC4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
SMILESCCCN(CCC)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-6-15(7-5-2)12-8-10(3)14-9-11(12)13(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyPQKYWXUVPDZFQQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.71
Rot. Bonds6

About 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid

4-(dipropylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233201) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81233201
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
SMILESCCCN(CCC)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-6-15(7-5-2)12-8-10(3)14-9-11(12)13(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyPQKYWXUVPDZFQQ-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
[4-(dipropylamino)-6-methyl-3-pyridinyl]methanol
CID 81237111
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244159
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid (CID 81233201) is 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid is CCCN(CCC)c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is PQKYWXUVPDZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-6-15(7-5-2)12-8-10(3)14-9-11(12)13(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid?
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).