2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid

C14H22N2O3 — CID 113380186

IUPAC2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N(CCC)CCO)n1
InChIInChI=1S/C14H22N2O3/c1-3-5-12-9-11(14(18)19)10-13(15-12)16(6-4-2)7-8-17/h9-10,17H,3-8H2,1-2H3,(H,18,19)
InChIKeySSWBARXZSZTBIN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.94
Rot. Bonds8

About 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid

2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid (PubChem CID 113380186) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
PubChem CID113380186
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N(CCC)CCO)n1
InChIInChI=1S/C14H22N2O3/c1-3-5-12-9-11(14(18)19)10-13(15-12)16(6-4-2)7-8-17/h9-10,17H,3-8H2,1-2H3,(H,18,19)
InChIKeySSWBARXZSZTBIN-UHFFFAOYSA-N
XLogP1.94
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid (CID 113380186) is 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(N(CCC)CCO)n1.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid?
The InChIKey is SSWBARXZSZTBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-5-12-9-11(14(18)19)10-13(15-12)16(6-4-2)7-8-17/h9-10,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid?
2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).