6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C26H30N8O4 — CID 54670819

IUPAC6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C26H30N8O4/c1-26(2,37)13-30-24(35)21-18(8-7-17(32-21)20-4-3-9-38-20)34-25(36)22-23(31-16-10-27-14-28-11-16)29-12-19(33-22)15-5-6-15/h7-8,10-12,14-15,20,37H,3-6,9,13H2,1-2H3,(H,29,31)(H,30,35)(H,34,36)
InChIKeyDAYAIFXDFYNWBA-UHFFFAOYSA-N
MW518.58 g/mol
LogP2.89
Rot. Bonds9

About 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54670819) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54670819
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC Name6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C26H30N8O4/c1-26(2,37)13-30-24(35)21-18(8-7-17(32-21)20-4-3-9-38-20)34-25(36)22-23(31-16-10-27-14-28-11-16)29-12-19(33-22)15-5-6-15/h7-8,10-12,14-15,20,37H,3-6,9,13H2,1-2H3,(H,29,31)(H,30,35)(H,34,36)
InChIKeyDAYAIFXDFYNWBA-UHFFFAOYSA-N
XLogP2.89
TPSA164.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54670819) is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is DAYAIFXDFYNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-26(2,37)13-30-24(35)21-18(8-7-17(32-21)20-4-3-9-38-20)34-25(36)22-23(31-16-10-27-14-28-11-16)29-12-19(33-22)15-5-6-15/h7-8,10-12,14-15,20,37H,3-6,9,13H2,1-2H3,(H,29,31)(H,30,35)(H,34,36).
What are the key properties of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 2.89, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54670819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).