N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide

C22H22N4O2 — CID 4143775

IUPACN-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCc1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(25-15-18-7-3-1-4-8-18)11-14-26(17-19-9-5-2-6-10-19)22(28)20-16-23-12-13-24-20/h1-10,12-13,16H,11,14-15,17H2,(H,25,27)
InChIKeyQUHKWRSGRTXPHJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.83
Rot. Bonds8

About N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 4143775) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID4143775
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCc1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(25-15-18-7-3-1-4-8-18)11-14-26(17-19-9-5-2-6-10-19)22(28)20-16-23-12-13-24-20/h1-10,12-13,16H,11,14-15,17H2,(H,25,27)
InChIKeyQUHKWRSGRTXPHJ-UHFFFAOYSA-N
XLogP2.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4653849
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
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-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
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-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 4143775) is N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide is O=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is QUHKWRSGRTXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(25-15-18-7-3-1-4-8-18)11-14-26(17-19-9-5-2-6-10-19)22(28)20-16-23-12-13-24-20/h1-10,12-13,16H,11,14-15,17H2,(H,25,27).
What are the key properties of N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.83, 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-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4143775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).