6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide

C21H18N8O — CID 165415174

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc2nccnc2c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(27-8-13-1-4-16-17(7-13)25-6-5-24-16)19-20(28-15-9-22-12-23-10-15)26-11-18(29-19)14-2-3-14/h1,4-7,9-12,14H,2-3,8H2,(H,26,28)(H,27,30)
InChIKeyWRSYZQKXBAXHAL-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.76
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide (PubChem CID 165415174) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide
PubChem CID165415174
Molecular FormulaC21H18N8O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc2nccnc2c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H18N8O/c30-21(27-8-13-1-4-16-17(7-13)25-6-5-24-16)19-20(28-15-9-22-12-23-10-15)26-11-18(29-19)14-2-3-14/h1,4-7,9-12,14H,2-3,8H2,(H,26,28)(H,27,30)
InChIKeyWRSYZQKXBAXHAL-UHFFFAOYSA-N
XLogP2.76
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide (CID 165415174) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccc2nccnc2c1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is WRSYZQKXBAXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c30-21(27-8-13-1-4-16-17(7-13)25-6-5-24-16)19-20(28-15-9-22-12-23-10-15)26-11-18(29-19)14-2-3-14/h1,4-7,9-12,14H,2-3,8H2,(H,26,28)(H,27,30).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 165415174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).