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

C18H25N5O — CID 43067611

IUPAC3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1nccnc1N)Cc1ccccc1
InChIInChI=1S/C18H25N5O/c1-3-23(4-2)15(12-14-8-6-5-7-9-14)13-22-18(24)16-17(19)21-11-10-20-16/h5-11,15H,3-4,12-13H2,1-2H3,(H2,19,21)(H,22,24)
InChIKeyMJEAQWHKCRNREX-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.74
Rot. Bonds8

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

3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide (PubChem CID 43067611) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
PubChem CID43067611
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1nccnc1N)Cc1ccccc1
InChIInChI=1S/C18H25N5O/c1-3-23(4-2)15(12-14-8-6-5-7-9-14)13-22-18(24)16-17(19)21-11-10-20-16/h5-11,15H,3-4,12-13H2,1-2H3,(H2,19,21)(H,22,24)
InChIKeyMJEAQWHKCRNREX-UHFFFAOYSA-N
XLogP1.74
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide
CID 43046291
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
ethyl (2S)-2-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-3-phenylpropanoate
CID 94800392
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
1-amino-N-[2-(diethylamino)-3-phenylpropyl]cyclopentane-1-carboxamide
CID 119849960
N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008828
N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43067463
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide (CID 43067611) is 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide is CCN(CC)C(CNC(=O)c1nccnc1N)Cc1ccccc1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide?
The InChIKey is MJEAQWHKCRNREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-23(4-2)15(12-14-8-6-5-7-9-14)13-22-18(24)16-17(19)21-11-10-20-16/h5-11,15H,3-4,12-13H2,1-2H3,(H2,19,21)(H,22,24).
What are the key properties of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide?
3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.74, 8 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)-3-phenylpropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 43067611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).