N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide

C23H24N4O2 — CID 7362225

IUPACN-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)CCN(Cc1ccccc1)C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-18(20-10-6-3-7-11-20)26-22(28)12-15-27(17-19-8-4-2-5-9-19)23(29)21-16-24-13-14-25-21/h2-11,13-14,16,18H,12,15,17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyJFDDGZHMHSQEFT-SFHVURJKSA-N
MW388.47 g/mol
LogP3.39
Rot. Bonds8

About N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide

N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 7362225) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID7362225
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)CCN(Cc1ccccc1)C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-18(20-10-6-3-7-11-20)26-22(28)12-15-27(17-19-8-4-2-5-9-19)23(29)21-16-24-13-14-25-21/h2-11,13-14,16,18H,12,15,17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyJFDDGZHMHSQEFT-SFHVURJKSA-N
XLogP3.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide (CID 7362225) is N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide is C[C@H](NC(=O)CCN(Cc1ccccc1)C(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is JFDDGZHMHSQEFT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-18(20-10-6-3-7-11-20)26-22(28)12-15-27(17-19-8-4-2-5-9-19)23(29)21-16-24-13-14-25-21/h2-11,13-14,16,18H,12,15,17H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.39, 8 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-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7362225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).