N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide

C17H28N4O3 — CID 7236849

IUPACN-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCCCCCN(CCC(=O)NCCOC)C(=O)c1cnccn1
InChIInChI=1S/C17H28N4O3/c1-3-4-5-6-11-21(12-7-16(22)20-10-13-24-2)17(23)15-14-18-8-9-19-15/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22)
InChIKeyLHFDVIDPSYDMBC-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.65
Rot. Bonds12

About N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 7236849) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID7236849
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCCCCCN(CCC(=O)NCCOC)C(=O)c1cnccn1
InChIInChI=1S/C17H28N4O3/c1-3-4-5-6-11-21(12-7-16(22)20-10-13-24-2)17(23)15-14-18-8-9-19-15/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22)
InChIKeyLHFDVIDPSYDMBC-UHFFFAOYSA-N
XLogP1.65
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.65
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-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253079
N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7249269
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783353

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 7236849) is N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide is CCCCCCN(CCC(=O)NCCOC)C(=O)c1cnccn1.
What is the InChIKey of N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is LHFDVIDPSYDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-4-5-6-11-21(12-7-16(22)20-10-13-24-2)17(23)15-14-18-8-9-19-15/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.65, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7236849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).