3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid

C14H22ClN3O2 — CID 107062353

IUPAC3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CN(CCN(C)C)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H22ClN3O2/c1-10(2)9-18(8-7-17(3)4)13-12(15)11(14(19)20)5-6-16-13/h5-6,10H,7-9H2,1-4H3,(H,19,20)
InChIKeyGSFHORONGFVSNM-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.46
Rot. Bonds7

About 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid

3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 107062353) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID107062353
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CN(CCN(C)C)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H22ClN3O2/c1-10(2)9-18(8-7-17(3)4)13-12(15)11(14(19)20)5-6-16-13/h5-6,10H,7-9H2,1-4H3,(H,19,20)
InChIKeyGSFHORONGFVSNM-UHFFFAOYSA-N
XLogP2.46
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702018
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369
[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol
CID 105383012
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985665
3-chloro-2-[methyl(pent-4-enyl)amino]pyridine-4-carboxylic acid
CID 107063051
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzoic acid
CID 104500469
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid (CID 107062353) is 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid is CC(C)CN(CCN(C)C)c1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is GSFHORONGFVSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-10(2)9-18(8-7-17(3)4)13-12(15)11(14(19)20)5-6-16-13/h5-6,10H,7-9H2,1-4H3,(H,19,20).
What are the key properties of 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 299.80 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).