N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

C20H26N4O2 — CID 4284505

IUPACN-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H26N4O2/c1-3-4-11-21-19(25)10-12-24(15-17-8-6-5-7-9-17)20(26)18-14-22-16(2)13-23-18/h5-9,13-14H,3-4,10-12,15H2,1-2H3,(H,21,25)
InChIKeyPHHLDNORGSDUHQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.73
Rot. Bonds9

About N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 4284505) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID4284505
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H26N4O2/c1-3-4-11-21-19(25)10-12-24(15-17-8-6-5-7-9-17)20(26)18-14-22-16(2)13-23-18/h5-9,13-14H,3-4,10-12,15H2,1-2H3,(H,21,25)
InChIKeyPHHLDNORGSDUHQ-UHFFFAOYSA-N
XLogP2.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 4284505) is N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is CCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is PHHLDNORGSDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-4-11-21-19(25)10-12-24(15-17-8-6-5-7-9-17)20(26)18-14-22-16(2)13-23-18/h5-9,13-14H,3-4,10-12,15H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.73, 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-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 4284505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).