1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C17H22N2O4 — CID 120515066

IUPAC1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C17H22N2O4/c20-15(19-17(16(21)22)9-3-4-10-17)12-7-8-14(18-11-12)23-13-5-1-2-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)(H,21,22)
InChIKeyPTSIKWIMCRCJLW-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.53
Rot. Bonds5

About 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120515066) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120515066
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C17H22N2O4/c20-15(19-17(16(21)22)9-3-4-10-17)12-7-8-14(18-11-12)23-13-5-1-2-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)(H,21,22)
InChIKeyPTSIKWIMCRCJLW-UHFFFAOYSA-N
XLogP2.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120515066) is 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PTSIKWIMCRCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(19-17(16(21)22)9-3-4-10-17)12-7-8-14(18-11-12)23-13-5-1-2-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)(H,21,22).
What are the key properties of 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120515066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).