2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid

C13H18N2O2 — CID 61443100

IUPAC2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
SMILESCCCN(CC1CC1)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H18N2O2/c1-2-7-15(9-10-3-4-10)12-8-11(13(16)17)5-6-14-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyHOKCFHGJYASSSU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.41
Rot. Bonds6

About 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid

2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid (PubChem CID 61443100) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
PubChem CID61443100
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
SMILESCCCN(CC1CC1)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H18N2O2/c1-2-7-15(9-10-3-4-10)12-8-11(13(16)17)5-6-14-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyHOKCFHGJYASSSU-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid (CID 61443100) is 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid is CCCN(CC1CC1)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid?
The InChIKey is HOKCFHGJYASSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-7-15(9-10-3-4-10)12-8-11(13(16)17)5-6-14-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid?
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61443100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).