[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate

C15H21N3O3 — CID 81312797

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
SMILESCC(OC(=O)c1ccc(N)cn1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-10(14(19)18-12-5-3-2-4-6-12)21-15(20)13-8-7-11(16)9-17-13/h7-10,12H,2-6,16H2,1H3,(H,18,19)
InChIKeyRMYGCUKLVPSTSZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds4

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate (PubChem CID 81312797) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
PubChem CID81312797
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
SMILESCC(OC(=O)c1ccc(N)cn1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-10(14(19)18-12-5-3-2-4-6-12)21-15(20)13-8-7-11(16)9-17-13/h7-10,12H,2-6,16H2,1H3,(H,18,19)
InChIKeyRMYGCUKLVPSTSZ-UHFFFAOYSA-N
XLogP1.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81317384
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 2628800
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate (CID 81312797) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate is CC(OC(=O)c1ccc(N)cn1)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
The InChIKey is RMYGCUKLVPSTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(14(19)18-12-5-3-2-4-6-12)21-15(20)13-8-7-11(16)9-17-13/h7-10,12H,2-6,16H2,1H3,(H,18,19).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81312797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).