8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide

C21H22N4O4 — CID 121109126

IUPAC8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCN(c4cnccn4)CC3)c(=O)oc12
InChIInChI=1S/C21H22N4O4/c1-28-17-4-2-3-15-11-16(21(27)29-19(15)17)20(26)24-12-14-5-9-25(10-6-14)18-13-22-7-8-23-18/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H,24,26)
InChIKeyCKESCCXHYKISAI-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.24
Rot. Bonds5

About 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide (PubChem CID 121109126) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide
PubChem CID121109126
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCN(c4cnccn4)CC3)c(=O)oc12
InChIInChI=1S/C21H22N4O4/c1-28-17-4-2-3-15-11-16(21(27)29-19(15)17)20(26)24-12-14-5-9-25(10-6-14)18-13-22-7-8-23-18/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H,24,26)
InChIKeyCKESCCXHYKISAI-UHFFFAOYSA-N
XLogP2.24
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-2-oxo-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]chromene-3-carboxamide
CID 122299980
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 71786573
1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 121109138
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N'-(2-methoxy-5-methylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107842
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 121109116
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 121109069
5-(furan-2-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786575
N-(2-imidazol-1-ylpyrimidin-5-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 122300789
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90580558

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide (CID 121109126) is 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)NCC3CCN(c4cnccn4)CC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide?
The InChIKey is CKESCCXHYKISAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-17-4-2-3-15-11-16(21(27)29-19(15)17)20(26)24-12-14-5-9-25(10-6-14)18-13-22-7-8-23-18/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H,24,26).
What are the key properties of 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 121109126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).