N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide

C20H26N4O2 — CID 4307801

IUPACN-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCC(C)C)Cc2ccccc2)cn1
InChIInChI=1S/C20H26N4O2/c1-15(2)11-23-19(25)9-10-24(14-17-7-5-4-6-8-17)20(26)18-13-21-16(3)12-22-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,25)
InChIKeyWIMHPUCCALOTBW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.59
Rot. Bonds8

About N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 4307801) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID4307801
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCC(C)C)Cc2ccccc2)cn1
InChIInChI=1S/C20H26N4O2/c1-15(2)11-23-19(25)9-10-24(14-17-7-5-4-6-8-17)20(26)18-13-21-16(3)12-22-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,25)
InChIKeyWIMHPUCCALOTBW-UHFFFAOYSA-N
XLogP2.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 4307801) is N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCC(C)C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is WIMHPUCCALOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)11-23-19(25)9-10-24(14-17-7-5-4-6-8-17)20(26)18-13-21-16(3)12-22-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,25).
What are the key properties of N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4307801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).