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

C21H21N7O3 — CID 58548363

IUPAC6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cccc1OC
InChIInChI=1S/C21H21N7O3/c1-22-20(29)17-14(4-3-5-16(17)31-2)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-15(27-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyAEHFKBRKXWYRJQ-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.51
Rot. Bonds7

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

6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548363) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548363
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cccc1OC
InChIInChI=1S/C21H21N7O3/c1-22-20(29)17-14(4-3-5-16(17)31-2)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-15(27-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyAEHFKBRKXWYRJQ-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-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548363) is 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cccc1OC.
What is the InChIKey of 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is AEHFKBRKXWYRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-22-20(29)17-14(4-3-5-16(17)31-2)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-15(27-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,22,29)(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3-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-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).