4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide

C20H21N5O3 — CID 72914526

IUPAC4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide
SMILESCCc1cc(N2CCN(C(=O)Nc3ccc4occc(=O)c4c3)CC2)ncn1
InChIInChI=1S/C20H21N5O3/c1-2-14-12-19(22-13-21-14)24-6-8-25(9-7-24)20(27)23-15-3-4-18-16(11-15)17(26)5-10-28-18/h3-5,10-13H,2,6-9H2,1H3,(H,23,27)
InChIKeyJBIJBHWGTOKVFY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.50
Rot. Bonds3

About 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide

4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide (PubChem CID 72914526) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide
PubChem CID72914526
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide
SMILESCCc1cc(N2CCN(C(=O)Nc3ccc4occc(=O)c4c3)CC2)ncn1
InChIInChI=1S/C20H21N5O3/c1-2-14-12-19(22-13-21-14)24-6-8-25(9-7-24)20(27)23-15-3-4-18-16(11-15)17(26)5-10-28-18/h3-5,10-13H,2,6-9H2,1H3,(H,23,27)
InChIKeyJBIJBHWGTOKVFY-UHFFFAOYSA-N
XLogP2.50
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide
CID 72873411
N-(3-chloro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921239
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
N-(3-fluoro-4-methylphenyl)-4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56922523
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56699420
ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 72861714
N-(3-chloro-4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341881
N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341861
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
N-(3-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56921079
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 118790910

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide (CID 72914526) is 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide is CCc1cc(N2CCN(C(=O)Nc3ccc4occc(=O)c4c3)CC2)ncn1.
What is the InChIKey of 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide?
The InChIKey is JBIJBHWGTOKVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-14-12-19(22-13-21-14)24-6-8-25(9-7-24)20(27)23-15-3-4-18-16(11-15)17(26)5-10-28-18/h3-5,10-13H,2,6-9H2,1H3,(H,23,27).
What are the key properties of 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide?
4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72914526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).