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

C21H22N8O2 — CID 58548181

IUPAC6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)n1
InChIInChI=1S/C21H22N8O2/c1-3-13-6-7-15(17(26-13)20(30)22-2)29-21(31)18-19(27-14-8-23-11-24-9-14)25-10-16(28-18)12-4-5-12/h6-12H,3-5H2,1-2H3,(H,22,30)(H,25,27)(H,29,31)
InChIKeyLRMAUNWTZLEVHE-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.46
Rot. Bonds7

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

6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548181) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548181
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)n1
InChIInChI=1S/C21H22N8O2/c1-3-13-6-7-15(17(26-13)20(30)22-2)29-21(31)18-19(27-14-8-23-11-24-9-14)25-10-16(28-18)12-4-5-12/h6-12H,3-5H2,1-2H3,(H,22,30)(H,25,27)(H,29,31)
InChIKeyLRMAUNWTZLEVHE-UHFFFAOYSA-N
XLogP2.46
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-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

Related Compounds

CID 53328445
CID 53328445
CID 53328447
CID 53328447
CID 53328989
CID 53328989
CID 53329168
CID 53329168
CID 53329169
CID 53329169
CID 54761643
CID 54761643
CID 58368041
CID 58368041
CID 58548152
CID 58548152
CID 58548190
CID 58548190
CID 58548204
CID 58548204
CID 58548211
CID 58548211
CID 58548215
CID 58548215

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548181) is 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)n1.
What is the InChIKey of 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LRMAUNWTZLEVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-3-13-6-7-15(17(26-13)20(30)22-2)29-21(31)18-19(27-14-8-23-11-24-9-14)25-10-16(28-18)12-4-5-12/h6-12H,3-5H2,1-2H3,(H,22,30)(H,25,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).