N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide

C23H24N4O2 — CID 5083778

IUPACN-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCCc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(26-13-11-19-7-3-1-4-8-19)12-16-27(18-20-9-5-2-6-10-20)23(29)21-17-24-14-15-25-21/h1-10,14-15,17H,11-13,16,18H2,(H,26,28)
InChIKeyKOAPSEOAWSOBGA-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.87
Rot. Bonds9

About N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide

N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 5083778) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
PubChem CID5083778
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCCc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(26-13-11-19-7-3-1-4-8-19)12-16-27(18-20-9-5-2-6-10-20)23(29)21-17-24-14-15-25-21/h1-10,14-15,17H,11-13,16,18H2,(H,26,28)
InChIKeyKOAPSEOAWSOBGA-UHFFFAOYSA-N
XLogP2.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide (CID 5083778) is N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide is O=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCCc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is KOAPSEOAWSOBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(26-13-11-19-7-3-1-4-8-19)12-16-27(18-20-9-5-2-6-10-20)23(29)21-17-24-14-15-25-21/h1-10,14-15,17H,11-13,16,18H2,(H,26,28).
What are the key properties of N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide?
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 5083778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).