[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate

C14H18N2O3 — CID 3957199

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccncc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O3/c1-10(13(17)16-12-4-2-3-5-12)19-14(18)11-6-8-15-9-7-11/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyLWZSUFYPHZJXMZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate

[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate (PubChem CID 3957199) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
PubChem CID3957199
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccncc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O3/c1-10(13(17)16-12-4-2-3-5-12)19-14(18)11-6-8-15-9-7-11/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyLWZSUFYPHZJXMZ-UHFFFAOYSA-N
XLogP1.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833961
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 2628800
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274992

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate (CID 3957199) is [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate is CC(OC(=O)c1ccncc1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The InChIKey is LWZSUFYPHZJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(13(17)16-12-4-2-3-5-12)19-14(18)11-6-8-15-9-7-11/h6-10,12H,2-5H2,1H3,(H,16,17).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 3957199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).