N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide

C17H20N4O2 — CID 8503925

IUPACN-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C17H20N4O2/c1-4-21(5-2)17(23)13-6-8-14(9-7-13)20-16(22)15-11-18-12(3)10-19-15/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeyAHSLSROTDLHKPD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.52
Rot. Bonds5

About N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 8503925) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID8503925
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C17H20N4O2/c1-4-21(5-2)17(23)13-6-8-14(9-7-13)20-16(22)15-11-18-12(3)10-19-15/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeyAHSLSROTDLHKPD-UHFFFAOYSA-N
XLogP2.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
CID 112793726
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 76938619
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide (CID 8503925) is N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is AHSLSROTDLHKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-21(5-2)17(23)13-6-8-14(9-7-13)20-16(22)15-11-18-12(3)10-19-15/h6-11H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 8503925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).