3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide

C17H23N5O — CID 43046291

IUPAC3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1nccnc1N)c1ccccc1
InChIInChI=1S/C17H23N5O/c1-3-22(4-2)14(13-8-6-5-7-9-13)12-21-17(23)15-16(18)20-11-10-19-15/h5-11,14H,3-4,12H2,1-2H3,(H2,18,20)(H,21,23)
InChIKeyXLVVMJIQOAPZPP-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.87
Rot. Bonds7

About 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide

3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide (PubChem CID 43046291) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide
PubChem CID43046291
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1nccnc1N)c1ccccc1
InChIInChI=1S/C17H23N5O/c1-3-22(4-2)14(13-8-6-5-7-9-13)12-21-17(23)15-16(18)20-11-10-19-15/h5-11,14H,3-4,12H2,1-2H3,(H2,18,20)(H,21,23)
InChIKeyXLVVMJIQOAPZPP-UHFFFAOYSA-N
XLogP1.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
CID 43067611
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
ethyl (2S)-2-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-3-phenylpropanoate
CID 94800392
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide (CID 43046291) is 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide is CCN(CC)C(CNC(=O)c1nccnc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
The InChIKey is XLVVMJIQOAPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-22(4-2)14(13-8-6-5-7-9-13)12-21-17(23)15-16(18)20-11-10-19-15/h5-11,14H,3-4,12H2,1-2H3,(H2,18,20)(H,21,23).
What are the key properties of 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 43046291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).