1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid

C11H18N2O2 — CID 70637960

IUPAC1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid
SMILESCCCNC1C(C(=O)O)=CC=CN1CC
InChIInChI=1S/C11H18N2O2/c1-3-7-12-10-9(11(14)15)6-5-8-13(10)4-2/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyCMCVNAOFSAQQIA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds5

About 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid

1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid (PubChem CID 70637960) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid
PubChem CID70637960
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid
SMILESCCCNC1C(C(=O)O)=CC=CN1CC
InChIInChI=1S/C11H18N2O2/c1-3-7-12-10-9(11(14)15)6-5-8-13(10)4-2/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyCMCVNAOFSAQQIA-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid (CID 70637960) is 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid is CCCNC1C(C(=O)O)=CC=CN1CC.
What is the InChIKey of 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid?
The InChIKey is CMCVNAOFSAQQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-7-12-10-9(11(14)15)6-5-8-13(10)4-2/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid?
1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70637960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).