5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid

C14H20ClN3O2 — CID 114919785

IUPAC5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCCN1CCCC1CN(C)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-3-18-6-4-5-10(18)9-17(2)13-7-11(14(19)20)12(15)8-16-13/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyDUKFDZGYVKCNOH-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.35
Rot. Bonds5

About 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid

5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 114919785) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID114919785
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCCN1CCCC1CN(C)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-3-18-6-4-5-10(18)9-17(2)13-7-11(14(19)20)12(15)8-16-13/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyDUKFDZGYVKCNOH-UHFFFAOYSA-N
XLogP2.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 79312721
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79311002
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114919498
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid (CID 114919785) is 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid is CCN1CCCC1CN(C)c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is DUKFDZGYVKCNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-18-6-4-5-10(18)9-17(2)13-7-11(14(19)20)12(15)8-16-13/h7-8,10H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).