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

C22H23N7O4 — CID 58548194

IUPAC6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H23N7O4/c1-23-21(31)16-8-15(33-7-6-30)4-5-17(16)29-22(32)19-20(27-14-9-24-12-25-10-14)26-11-18(28-19)13-2-3-13/h4-5,8-13,30H,2-3,6-7H2,1H3,(H,23,31)(H,26,27)(H,29,32)
InChIKeyWMEYAVUXORDJQN-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.87
Rot. Bonds9

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

6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548194) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548194
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H23N7O4/c1-23-21(31)16-8-15(33-7-6-30)4-5-17(16)29-22(32)19-20(27-14-9-24-12-25-10-14)26-11-18(28-19)13-2-3-13/h4-5,8-13,30H,2-3,6-7H2,1H3,(H,23,31)(H,26,27)(H,29,32)
InChIKeyWMEYAVUXORDJQN-UHFFFAOYSA-N
XLogP1.87
TPSA151.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.87
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-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548194) is 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is WMEYAVUXORDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4/c1-23-21(31)16-8-15(33-7-6-30)4-5-17(16)29-22(32)19-20(27-14-9-24-12-25-10-14)26-11-18(28-19)13-2-3-13/h4-5,8-13,30H,2-3,6-7H2,1H3,(H,23,31)(H,26,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 1.87, 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-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).