5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C13H18ClN3O2 — CID 61404189

IUPAC5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCNCC1CCCN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-15-6-9-3-2-4-17(8-9)12-11(14)5-10(7-16-12)13(18)19/h5,7,9,15H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyRMMNQHVMQCZVON-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.87
Rot. Bonds4

About 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 61404189) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID61404189
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCNCC1CCCN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-15-6-9-3-2-4-17(8-9)12-11(14)5-10(7-16-12)13(18)19/h5,7,9,15H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyRMMNQHVMQCZVON-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 55183258
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204
5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 96572737
5-chloro-6-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 155504715
5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 162444888
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 162444949
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205
5-chloro-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylic acid;hydrochloride
CID 153354859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 61404189) is 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid is CNCC1CCCN(c2ncc(C(=O)O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is RMMNQHVMQCZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-15-6-9-3-2-4-17(8-9)12-11(14)5-10(7-16-12)13(18)19/h5,7,9,15H,2-4,6,8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61404189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).