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

C12H16N2O2 — CID 63883028

IUPAC4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-2-14(10-3-4-10)8-9-5-6-13-11(7-9)12(15)16/h5-7,10H,2-4,8H2,1H3,(H,15,16)
InChIKeyDZBDRFXWYPWAMQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.76
Rot. Bonds5

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

4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63883028) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63883028
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-2-14(10-3-4-10)8-9-5-6-13-11(7-9)12(15)16/h5-7,10H,2-4,8H2,1H3,(H,15,16)
InChIKeyDZBDRFXWYPWAMQ-UHFFFAOYSA-N
XLogP1.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid (CID 63883028) is 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid is CCN(Cc1ccnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is DZBDRFXWYPWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-14(10-3-4-10)8-9-5-6-13-11(7-9)12(15)16/h5-7,10H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).