6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid

C19H26N2O4 — CID 138002816

IUPAC6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid
SMILESCCC(OC1CCCC1)C(=O)NCc1ccc(C(=O)O)c(C2CC2)n1
InChIInChI=1S/C19H26N2O4/c1-2-16(25-14-5-3-4-6-14)18(22)20-11-13-9-10-15(19(23)24)17(21-13)12-7-8-12/h9-10,12,14,16H,2-8,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyMXGNQDBUVOCSLU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.01
Rot. Bonds8

About 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid

6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid (PubChem CID 138002816) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid
PubChem CID138002816
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid
SMILESCCC(OC1CCCC1)C(=O)NCc1ccc(C(=O)O)c(C2CC2)n1
InChIInChI=1S/C19H26N2O4/c1-2-16(25-14-5-3-4-6-14)18(22)20-11-13-9-10-15(19(23)24)17(21-13)12-7-8-12/h9-10,12,14,16H,2-8,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyMXGNQDBUVOCSLU-UHFFFAOYSA-N
XLogP3.01
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid (CID 138002816) is 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid is CCC(OC1CCCC1)C(=O)NCc1ccc(C(=O)O)c(C2CC2)n1.
What is the InChIKey of 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid?
The InChIKey is MXGNQDBUVOCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-16(25-14-5-3-4-6-14)18(22)20-11-13-9-10-15(19(23)24)17(21-13)12-7-8-12/h9-10,12,14,16H,2-8,11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid?
6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid is sourced from PubChem (CID 138002816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).