6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H24N8O3 — CID 58548212

IUPAC6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cnccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O3/c1-22(2,33)11-27-20(31)15-9-23-6-5-16(15)30-21(32)18-19(28-14-7-24-12-25-8-14)26-10-17(29-18)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,23,30,32)
InChIKeyDUOXLNANFGKAHS-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.04
Rot. Bonds8

About 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548212) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548212
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cnccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O3/c1-22(2,33)11-27-20(31)15-9-23-6-5-16(15)30-21(32)18-19(28-14-7-24-12-25-8-14)26-10-17(29-18)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,23,30,32)
InChIKeyDUOXLNANFGKAHS-UHFFFAOYSA-N
XLogP2.04
TPSA154.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548212) is 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1cnccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is DUOXLNANFGKAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-22(2,33)11-27-20(31)15-9-23-6-5-16(15)30-21(32)18-19(28-14-7-24-12-25-8-14)26-10-17(29-18)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,23,30,32).
What are the key properties of 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).