N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide

C17H21ClN4O — CID 51097535

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-13-10-20-16(11-19-13)17(23)22(9-8-21(2)3)12-14-4-6-15(18)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyHDIKYXSOHOTGMO-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.64
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 51097535) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID51097535
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-13-10-20-16(11-19-13)17(23)22(9-8-21(2)3)12-14-4-6-15(18)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyHDIKYXSOHOTGMO-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.64
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]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide (CID 51097535) is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is HDIKYXSOHOTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-13-10-20-16(11-19-13)17(23)22(9-8-21(2)3)12-14-4-6-15(18)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 2.64, 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]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 51097535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).