5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide

C15H17ClN4O — CID 103817041

IUPAC5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cnc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H17ClN4O/c1-20(2)13(11-6-4-3-5-7-11)9-19-15(21)12-8-18-14(16)10-17-12/h3-8,10,13H,9H2,1-2H3,(H,19,21)
InChIKeyOQXJZJZFPIZKMQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.16
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide

5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide (PubChem CID 103817041) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide
PubChem CID103817041
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cnc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H17ClN4O/c1-20(2)13(11-6-4-3-5-7-11)9-19-15(21)12-8-18-14(16)10-17-12/h3-8,10,13H,9H2,1-2H3,(H,19,21)
InChIKeyOQXJZJZFPIZKMQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-[(3-methyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685110

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide (CID 103817041) is 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide is CN(C)C(CNC(=O)c1cnc(Cl)cn1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
The InChIKey is OQXJZJZFPIZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(2)13(11-6-4-3-5-7-11)9-19-15(21)12-8-18-14(16)10-17-12/h3-8,10,13H,9H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103817041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).