N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

C16H19ClN4O — CID 51097537

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cnccn1
InChIInChI=1S/C16H19ClN4O/c1-20(2)9-10-21(12-13-3-5-14(17)6-4-13)16(22)15-11-18-7-8-19-15/h3-8,11H,9-10,12H2,1-2H3
InChIKeyJKWGDRRNBPMKSF-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.33
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 51097537) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
PubChem CID51097537
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cnccn1
InChIInChI=1S/C16H19ClN4O/c1-20(2)9-10-21(12-13-3-5-14(17)6-4-13)16(22)15-11-18-7-8-19-15/h3-8,11H,9-10,12H2,1-2H3
InChIKeyJKWGDRRNBPMKSF-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (CID 51097537) is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cnccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is JKWGDRRNBPMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-20(2)9-10-21(12-13-3-5-14(17)6-4-13)16(22)15-11-18-7-8-19-15/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51097537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).