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

C23H23N7O3 — CID 58548341

IUPAC6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(CC(C)=O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H23N7O3/c1-13(31)7-14-3-6-18(17(8-14)22(32)24-2)30-23(33)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)15-4-5-15/h3,6,8-12,15H,4-5,7H2,1-2H3,(H,24,32)(H,27,28)(H,30,33)
InChIKeyQCRQEAHDXPIFJG-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.63
Rot. Bonds8

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

6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548341) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548341
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(CC(C)=O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H23N7O3/c1-13(31)7-14-3-6-18(17(8-14)22(32)24-2)30-23(33)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)15-4-5-15/h3,6,8-12,15H,4-5,7H2,1-2H3,(H,24,32)(H,27,28)(H,30,33)
InChIKeyQCRQEAHDXPIFJG-UHFFFAOYSA-N
XLogP2.63
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548341) is 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cc(CC(C)=O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is QCRQEAHDXPIFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-13(31)7-14-3-6-18(17(8-14)22(32)24-2)30-23(33)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)15-4-5-15/h3,6,8-12,15H,4-5,7H2,1-2H3,(H,24,32)(H,27,28)(H,30,33).
What are the key properties of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).