6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H24N8O4 — CID 58548216

IUPAC6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)c1
InChIInChI=1S/C23H24N8O4/c1-24-19(32)11-35-15-5-6-17(16(7-15)22(33)25-2)31-23(34)20-21(29-14-8-26-12-27-9-14)28-10-18(30-20)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,32)(H,25,33)(H,28,29)(H,31,34)
InChIKeyCGYNNCXAJYUIML-UHFFFAOYSA-N
MW476.50 g/mol
LogP1.62
Rot. Bonds9

About 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548216) has the molecular formula C23H24N8O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548216
Molecular FormulaC23H24N8O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC Name6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)c1
InChIInChI=1S/C23H24N8O4/c1-24-19(32)11-35-15-5-6-17(16(7-15)22(33)25-2)31-23(34)20-21(29-14-8-26-12-27-9-14)28-10-18(30-20)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,32)(H,25,33)(H,28,29)(H,31,34)
InChIKeyCGYNNCXAJYUIML-UHFFFAOYSA-N
XLogP1.62
TPSA160.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548216) is 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)COc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)c1.
What is the InChIKey of 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is CGYNNCXAJYUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O4/c1-24-19(32)11-35-15-5-6-17(16(7-15)22(33)25-2)31-23(34)20-21(29-14-8-26-12-27-9-14)28-10-18(30-20)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,32)(H,25,33)(H,28,29)(H,31,34).
What are the key properties of 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 1.62, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).