N',N'-diethyl-N-pyrazin-2-ylbutanediamide

C12H18N4O2 — CID 75508705

IUPACN',N'-diethyl-N-pyrazin-2-ylbutanediamide
SMILESCCN(CC)C(=O)CCC(=O)Nc1cnccn1
InChIInChI=1S/C12H18N4O2/c1-3-16(4-2)12(18)6-5-11(17)15-10-9-13-7-8-14-10/h7-9H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyBHXBCWUAOOEFJQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds6

About N',N'-diethyl-N-pyrazin-2-ylbutanediamide

N',N'-diethyl-N-pyrazin-2-ylbutanediamide (PubChem CID 75508705) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N',N'-diethyl-N-pyrazin-2-ylbutanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-pyrazin-2-ylbutanediamide
PubChem CID75508705
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN',N'-diethyl-N-pyrazin-2-ylbutanediamide
SMILESCCN(CC)C(=O)CCC(=O)Nc1cnccn1
InChIInChI=1S/C12H18N4O2/c1-3-16(4-2)12(18)6-5-11(17)15-10-9-13-7-8-14-10/h7-9H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyBHXBCWUAOOEFJQ-UHFFFAOYSA-N
XLogP1.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrazin-2-ylpentanamide
CID 91469646
3-methoxy-N-pyrazin-2-ylpropanamide
CID 127118096
5-methoxy-N-pyrazin-2-ylpentanamide
CID 75485096
4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
1,1-dibutyl-3-pyrazin-2-ylurea
CID 108893837
N-(6-amino-3-pyridinyl)-N',N'-diethylbutanediamide
CID 119516391
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
CID 122135229
2-(2-methoxyethylamino)-N-pyrazin-2-ylacetamide
CID 79282609
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
N',N'-diethyl-N-methylbutanediamide
CID 177056307

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-pyrazin-2-ylbutanediamide?
The IUPAC name of N',N'-diethyl-N-pyrazin-2-ylbutanediamide (CID 75508705) is N',N'-diethyl-N-pyrazin-2-ylbutanediamide.
What is the SMILES notation for N',N'-diethyl-N-pyrazin-2-ylbutanediamide?
The canonical SMILES for N',N'-diethyl-N-pyrazin-2-ylbutanediamide is CCN(CC)C(=O)CCC(=O)Nc1cnccn1.
What is the InChIKey of N',N'-diethyl-N-pyrazin-2-ylbutanediamide?
The InChIKey is BHXBCWUAOOEFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-16(4-2)12(18)6-5-11(17)15-10-9-13-7-8-14-10/h7-9H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of N',N'-diethyl-N-pyrazin-2-ylbutanediamide?
N',N'-diethyl-N-pyrazin-2-ylbutanediamide has a molecular weight of 250.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-pyrazin-2-ylbutanediamide is sourced from PubChem (CID 75508705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).