N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide

C21H22N6O2 — CID 121272179

IUPACN-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1
InChIInChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29)
InChIKeyHDCMTUGSNIUYLM-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.40
Rot. Bonds6

About N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272179) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272179
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1
InChIInChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29)
InChIKeyHDCMTUGSNIUYLM-UHFFFAOYSA-N
XLogP2.40
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272179) is N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ccc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1.
What is the InChIKey of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is HDCMTUGSNIUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29).
What are the key properties of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).