4-[(dibutylamino)methyl]pyridine-2-carboxylic acid

C15H24N2O2 — CID 63880878

IUPAC4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
SMILESCCCCN(CCCC)Cc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H24N2O2/c1-3-5-9-17(10-6-4-2)12-13-7-8-16-14(11-13)15(18)19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRHOXFCCLIQLNFP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.18
Rot. Bonds9

About 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid

4-[(dibutylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 63880878) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
PubChem CID63880878
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
SMILESCCCCN(CCCC)Cc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H24N2O2/c1-3-5-9-17(10-6-4-2)12-13-7-8-16-14(11-13)15(18)19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRHOXFCCLIQLNFP-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-docosylpyridine-2-carboxylic acid
CID 174759337
4-[[butyl(ethyl)amino]methyl]pyridine-2-carbothioamide
CID 63880501
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
CID 63886675
4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
CID 63881450
4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883028
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
4-(methylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63884403
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
4-[(N-butylanilino)methyl]pyridine-2-carbothioamide
CID 64592322
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552

Frequently Asked Questions

What is the IUPAC name of 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid (CID 63880878) is 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid is CCCCN(CCCC)Cc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is RHOXFCCLIQLNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-9-17(10-6-4-2)12-13-7-8-16-14(11-13)15(18)19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid?
4-[(dibutylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibutylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63880878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).