N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide

C16H20N4O2 — CID 122558966

IUPACN-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN(C)CCC(NC(=O)c1c[nH]c(=O)cn1)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-20(2)9-8-13(12-6-4-3-5-7-12)19-16(22)14-10-18-15(21)11-17-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMZULSVFTQYDRAS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.19
Rot. Bonds6

About N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 122558966) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID122558966
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN(C)CCC(NC(=O)c1c[nH]c(=O)cn1)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-20(2)9-8-13(12-6-4-3-5-7-12)19-16(22)14-10-18-15(21)11-17-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMZULSVFTQYDRAS-UHFFFAOYSA-N
XLogP1.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974711
3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide
CID 122565739
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61066772
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 122558966) is N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide is CN(C)CCC(NC(=O)c1c[nH]c(=O)cn1)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is MZULSVFTQYDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(2)9-8-13(12-6-4-3-5-7-12)19-16(22)14-10-18-15(21)11-17-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 122558966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).