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

C21H21N7O3 — CID 58548303

IUPAC6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H21N7O3/c1-22-20(29)15-7-14(31-2)5-6-16(15)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-17(27-18)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyGQIJIMVROOKGSI-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.51
Rot. Bonds7

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

6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548303) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548303
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H21N7O3/c1-22-20(29)15-7-14(31-2)5-6-16(15)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-17(27-18)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyGQIJIMVROOKGSI-UHFFFAOYSA-N
XLogP2.51
TPSA131.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548303) is 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cc(OC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GQIJIMVROOKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-22-20(29)15-7-14(31-2)5-6-16(15)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-17(27-18)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,29)(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).