Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate

Name: Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₂N₄O₃ — CID 109288297

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate

SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1

InChIInChI=1S/C18H22N4O3/c1-4-5-10-22(2)17(23)15-11-20-16(12-19-15)21-14-8-6-13(7-9-14)18(24)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)

InChIKeyLPZNMJUUCKXNON-UHFFFAOYSA-N

MW342.40 g/mol

LogP2.88

Rot. Bonds7

About Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate

Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109288297) has the molecular formula C₁₈H₂₂N₄O₃ and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Name	Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID	109288297
Molecular Formula	C₁₈H₂₂N₄O₃
Molecular Weight	342.40 g/mol
Exact Mass	342.17
IUPAC Name	methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILES	CCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1
InChI	InChI=1S/C18H22N4O3/c1-4-5-10-22(2)17(23)15-11-20-16(12-19-15)21-14-8-6-13(7-9-14)18(24)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)
InChIKey	LPZNMJUUCKXNON-UHFFFAOYSA-N
XLogP	2.88
TPSA	84.42 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?

The IUPAC name of Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109288297) is methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

What is the SMILES notation for Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?

The canonical SMILES for Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate is CCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1.

What is the InChIKey of Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?

The InChIKey is LPZNMJUUCKXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-5-10-22(2)17(23)15-11-20-16(12-19-15)21-14-8-6-13(7-9-14)18(24)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21).

What are the key properties of Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?

Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109288297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 109288297 — identifiers, structure, computed properties (public domain)

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