N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide

C14H13ClN4O2 — CID 6498557

IUPACN-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(8-11)13(20)18-6-7-19-14(21)12-9-16-4-5-17-12/h1-5,8-9H,6-7H2,(H,18,20)(H,19,21)
InChIKeyMXCBBEWGZWNNFR-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498557) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498557
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(8-11)13(20)18-6-7-19-14(21)12-9-16-4-5-17-12/h1-5,8-9H,6-7H2,(H,18,20)(H,19,21)
InChIKeyMXCBBEWGZWNNFR-UHFFFAOYSA-N
XLogP1.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 6498557) is N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNC(=O)c1cnccn1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is MXCBBEWGZWNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(8-11)13(20)18-6-7-19-14(21)12-9-16-4-5-17-12/h1-5,8-9H,6-7H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).