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

C21H22N8O2 — CID 58548404

IUPAC6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H22N8O2/c1-12(2)26-20(30)17-15(4-3-7-24-17)29-21(31)18-19(27-14-8-22-11-23-9-14)25-10-16(28-18)13-5-6-13/h3-4,7-13H,5-6H2,1-2H3,(H,25,27)(H,26,30)(H,29,31)
InChIKeyBNTSZWJTQISPKW-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.67
Rot. Bonds7

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

6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548404) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548404
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H22N8O2/c1-12(2)26-20(30)17-15(4-3-7-24-17)29-21(31)18-19(27-14-8-22-11-23-9-14)25-10-16(28-18)13-5-6-13/h3-4,7-13H,5-6H2,1-2H3,(H,25,27)(H,26,30)(H,29,31)
InChIKeyBNTSZWJTQISPKW-UHFFFAOYSA-N
XLogP2.67
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548404) is 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BNTSZWJTQISPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-12(2)26-20(30)17-15(4-3-7-24-17)29-21(31)18-19(27-14-8-22-11-23-9-14)25-10-16(28-18)13-5-6-13/h3-4,7-13H,5-6H2,1-2H3,(H,25,27)(H,26,30)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).