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

C20H26N4O3 — CID 5178704

IUPACN-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCOCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H26N4O3/c1-16-13-23-18(14-22-16)20(26)24(15-17-7-4-3-5-8-17)11-9-19(25)21-10-6-12-27-2/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,21,25)
InChIKeyRMEYFCZMPCGJSH-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.97
Rot. Bonds10

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

N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 5178704) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID5178704
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCOCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H26N4O3/c1-16-13-23-18(14-22-16)20(26)24(15-17-7-4-3-5-8-17)11-9-19(25)21-10-6-12-27-2/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,21,25)
InChIKeyRMEYFCZMPCGJSH-UHFFFAOYSA-N
XLogP1.97
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
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
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 3425328
3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783088
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 5178704) is N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is COCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is RMEYFCZMPCGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-16-13-23-18(14-22-16)20(26)24(15-17-7-4-3-5-8-17)11-9-19(25)21-10-6-12-27-2/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 5178704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).