6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H24N8O2 — CID 58548331

IUPAC6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1nc(C2CC2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O2/c1-31(2)23(33)19-17(8-7-16(28-19)13-3-4-13)30-22(32)20-21(27-15-9-24-12-25-10-15)26-11-18(29-20)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,26,27)(H,30,32)
InChIKeyXJZUIDPGQXCPTK-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.11
Rot. Bonds7

About 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548331) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548331
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1nc(C2CC2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O2/c1-31(2)23(33)19-17(8-7-16(28-19)13-3-4-13)30-22(32)20-21(27-15-9-24-12-25-10-15)26-11-18(29-20)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,26,27)(H,30,32)
InChIKeyXJZUIDPGQXCPTK-UHFFFAOYSA-N
XLogP3.11
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548331) is 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C)C(=O)c1nc(C2CC2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is XJZUIDPGQXCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-31(2)23(33)19-17(8-7-16(28-19)13-3-4-13)30-22(32)20-21(27-15-9-24-12-25-10-15)26-11-18(29-20)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,26,27)(H,30,32).
What are the key properties of 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-cyclopropyl-2-(dimethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).