4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid

C12H16N2O3 — CID 61452485

IUPAC4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
SMILESCOCCN(c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H16N2O3/c1-17-7-6-14(9-2-3-9)10-4-5-13-11(8-10)12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyQQKRGAYDXGQBAR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds6

About 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid

4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid (PubChem CID 61452485) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
PubChem CID61452485
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
SMILESCOCCN(c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H16N2O3/c1-17-7-6-14(9-2-3-9)10-4-5-13-11(8-10)12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyQQKRGAYDXGQBAR-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid (CID 61452485) is 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid is COCCN(c1ccnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is QQKRGAYDXGQBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-7-6-14(9-2-3-9)10-4-5-13-11(8-10)12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 61452485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).