[2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate

C25H30ClN5O3 — CID 91133255

About [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate

[2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate (PubChem CID 91133255) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate.

Molecular Properties

• Compound Name: [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate
• PubChem CID: 91133255
• Molecular Formula: C25H30ClN5O3
• Molecular Weight: 484.00 g/mol
• Exact Mass: 483.20
• IUPAC Name: [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate
• SMILES: CC1=C(NC(=O)OCC(C2CC2)n2cc(Cl)nc(Nc3cc(C)c(C)nc3C)c2=O)C=CCC1
• InChI: InChI=1S/C25H30ClN5O3/c1-14-7-5-6-8-19(14)29-25(33)34-13-21(18-9-10-18)31-12-22(26)30-23(24(31)32)28-20-11-15(2)16(3)27-17(20)4/h6,8,11-12,18,21H,5,7,9-10,13H2,1-4H3,(H,28,30)(H,29,33)
• InChIKey: KPTITQAUEWLJCG-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.00
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate?

The IUPAC name of [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate (CID 91133255) is [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate.

What is the SMILES notation for [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate?

The canonical SMILES for [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate is CC1=C(NC(=O)OCC(C2CC2)n2cc(Cl)nc(Nc3cc(C)c(C)nc3C)c2=O)C=CCC1.

What is the InChIKey of [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate?

The InChIKey is KPTITQAUEWLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-14-7-5-6-8-19(14)29-25(33)34-13-21(18-9-10-18)31-12-22(26)30-23(24(31)32)28-20-11-15(2)16(3)27-17(20)4/h6,8,11-12,18,21H,5,7,9-10,13H2,1-4H3,(H,28,30)(H,29,33).

What are the key properties of [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate?

[2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate has a molecular weight of 484.00 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate is sourced from PubChem (CID 91133255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).