N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide

C16H26N4O2 — CID 5059677

IUPACN-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCCCN(CCC(=O)N(CC)CC)C(=O)c1cnccn1
InChIInChI=1S/C16H26N4O2/c1-4-7-11-20(12-8-15(21)19(5-2)6-3)16(22)14-13-17-9-10-18-14/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyBOPFHULJVGRIAJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.98
Rot. Bonds9

About N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 5059677) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID5059677
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCCCN(CCC(=O)N(CC)CC)C(=O)c1cnccn1
InChIInChI=1S/C16H26N4O2/c1-4-7-11-20(12-8-15(21)19(5-2)6-3)16(22)14-13-17-9-10-18-14/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyBOPFHULJVGRIAJ-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 42783231
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-cyclopropyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3402919
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
N-cyclopropyl-N-[3-(dipropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783325
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
1-pyrazin-2-ylhexan-1-one
CID 22507174
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 5059677) is N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide is CCCCN(CCC(=O)N(CC)CC)C(=O)c1cnccn1.
What is the InChIKey of N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is BOPFHULJVGRIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-7-11-20(12-8-15(21)19(5-2)6-3)16(22)14-13-17-9-10-18-14/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 5059677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).