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

C21H22N8O3 — CID 58548365

IUPAC6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(COC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H22N8O3/c1-22-20(30)17-15(6-5-13(26-17)10-32-2)29-21(31)18-19(27-14-7-23-11-24-8-14)25-9-16(28-18)12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,30)(H,25,27)(H,29,31)
InChIKeyGQDGRDSTNNEJOO-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.04
Rot. Bonds8

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

6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548365) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548365
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(COC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H22N8O3/c1-22-20(30)17-15(6-5-13(26-17)10-32-2)29-21(31)18-19(27-14-7-23-11-24-8-14)25-9-16(28-18)12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,30)(H,25,27)(H,29,31)
InChIKeyGQDGRDSTNNEJOO-UHFFFAOYSA-N
XLogP2.04
TPSA143.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548365) is 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1nc(COC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GQDGRDSTNNEJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3/c1-22-20(30)17-15(6-5-13(26-17)10-32-2)29-21(31)18-19(27-14-7-23-11-24-8-14)25-9-16(28-18)12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,30)(H,25,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-(methoxymethyl)-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).