N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide

C16H26N4O3 — CID 42783356

IUPACN-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOCCN(CCC(=O)NC(C)C(C)C)C(=O)c1cnccn1
InChIInChI=1S/C16H26N4O3/c1-12(2)13(3)19-15(21)5-8-20(9-10-23-4)16(22)14-11-17-6-7-18-14/h6-7,11-13H,5,8-10H2,1-4H3,(H,19,21)
InChIKeyJHCBALINRNADTN-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.12
Rot. Bonds9

About N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 42783356) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID42783356
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOCCN(CCC(=O)NC(C)C(C)C)C(=O)c1cnccn1
InChIInChI=1S/C16H26N4O3/c1-12(2)13(3)19-15(21)5-8-20(9-10-23-4)16(22)14-11-17-6-7-18-14/h6-7,11-13H,5,8-10H2,1-4H3,(H,19,21)
InChIKeyJHCBALINRNADTN-UHFFFAOYSA-N
XLogP1.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253079
N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783353
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 3558029
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 42783356) is N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide is COCCN(CCC(=O)NC(C)C(C)C)C(=O)c1cnccn1.
What is the InChIKey of N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is JHCBALINRNADTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)13(3)19-15(21)5-8-20(9-10-23-4)16(22)14-11-17-6-7-18-14/h6-7,11-13H,5,8-10H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).