6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C19H23N7O2 — CID 165415223

IUPAC6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H23N7O2/c27-16-3-1-7-26(16)8-2-6-22-19(28)17-18(24-14-9-20-12-21-10-14)23-11-15(25-17)13-4-5-13/h9-13H,1-8H2,(H,22,28)(H,23,24)
InChIKeyHZOJJSUILQCXHI-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.63
Rot. Bonds8

About 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415223) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415223
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H23N7O2/c27-16-3-1-7-26(16)8-2-6-22-19(28)17-18(24-14-9-20-12-21-10-14)23-11-15(25-17)13-4-5-13/h9-13H,1-8H2,(H,22,28)(H,23,24)
InChIKeyHZOJJSUILQCXHI-UHFFFAOYSA-N
XLogP1.63
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-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-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415223) is 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is HZOJJSUILQCXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-16-3-1-7-26(16)8-2-6-22-19(28)17-18(24-14-9-20-12-21-10-14)23-11-15(25-17)13-4-5-13/h9-13H,1-8H2,(H,22,28)(H,23,24).
What are the key properties of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).