6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H20N8O2 — CID 58548290

IUPAC6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCNC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H20N8O2/c1-2-23-19(29)16-14(4-3-7-24-16)28-20(30)17-18(26-13-8-21-11-22-9-13)25-10-15(27-17)12-5-6-12/h3-4,7-12H,2,5-6H2,1H3,(H,23,29)(H,25,26)(H,28,30)
InChIKeyBNCIJLTUGGYBAW-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.28
Rot. Bonds7

About 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548290) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548290
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCNC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H20N8O2/c1-2-23-19(29)16-14(4-3-7-24-16)28-20(30)17-18(26-13-8-21-11-22-9-13)25-10-15(27-17)12-5-6-12/h3-4,7-12H,2,5-6H2,1H3,(H,23,29)(H,25,26)(H,28,30)
InChIKeyBNCIJLTUGGYBAW-UHFFFAOYSA-N
XLogP2.28
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548290) is 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCNC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BNCIJLTUGGYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-2-23-19(29)16-14(4-3-7-24-16)28-20(30)17-18(26-13-8-21-11-22-9-13)25-10-15(27-17)12-5-6-12/h3-4,7-12H,2,5-6H2,1H3,(H,23,29)(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(ethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).