ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate

C20H28N4O4 — CID 55633049

IUPACethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)nc1C
InChIInChI=1S/C20H28N4O4/c1-4-28-20(27)16-7-8-17(21-13(16)2)19(26)24-11-9-23(10-12-24)14(3)18(25)22-15-5-6-15/h7-8,14-15H,4-6,9-12H2,1-3H3,(H,22,25)
InChIKeyVDYRNJWENBMCNT-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.99
Rot. Bonds6

About ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate

ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate (PubChem CID 55633049) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
PubChem CID55633049
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nameethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)nc1C
InChIInChI=1S/C20H28N4O4/c1-4-28-20(27)16-7-8-17(21-13(16)2)19(26)24-11-9-23(10-12-24)14(3)18(25)22-15-5-6-15/h7-8,14-15H,4-6,9-12H2,1-3H3,(H,22,25)
InChIKeyVDYRNJWENBMCNT-UHFFFAOYSA-N
XLogP0.99
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51299542
ethyl 2-methyl-6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyridine-3-carboxylate
CID 55641823
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
ethyl 6-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55600898
ethyl 6-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55600906
ethyl 2-methyl-6-[4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-3-carboxylate
CID 55630575
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
N-cyclopropyl-2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanamide
CID 86916677
ethyl 2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyridine-3-carboxylate
CID 55630440
ethyl 6-[4-(4-cyanophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55641603
N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate (CID 55633049) is ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)nc1C.
What is the InChIKey of ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate?
The InChIKey is VDYRNJWENBMCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-4-28-20(27)16-7-8-17(21-13(16)2)19(26)24-11-9-23(10-12-24)14(3)18(25)22-15-5-6-15/h7-8,14-15H,4-6,9-12H2,1-3H3,(H,22,25).
What are the key properties of ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55633049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).