N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide

C23H18N4O4 — CID 8990856

IUPACN-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cnccn1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H18N4O4/c28-21(26-11-12-27-22(29)19-14-24-9-10-25-19)16-7-5-15(6-8-16)18-13-17-3-1-2-4-20(17)31-23(18)30/h1-10,13-14H,11-12H2,(H,26,28)(H,27,29)
InChIKeySCPOJUMZHJRNPY-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 8990856) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID8990856
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cnccn1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H18N4O4/c28-21(26-11-12-27-22(29)19-14-24-9-10-25-19)16-7-5-15(6-8-16)18-13-17-3-1-2-4-20(17)31-23(18)30/h1-10,13-14H,11-12H2,(H,26,28)(H,27,29)
InChIKeySCPOJUMZHJRNPY-UHFFFAOYSA-N
XLogP2.41
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide (CID 8990856) is N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNC(=O)c1cnccn1)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is SCPOJUMZHJRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-21(26-11-12-27-22(29)19-14-24-9-10-25-19)16-7-5-15(6-8-16)18-13-17-3-1-2-4-20(17)31-23(18)30/h1-10,13-14H,11-12H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-oxochromen-3-yl)benzoyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 8990856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).