5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide

C20H19ClN4O — CID 109282125

IUPAC5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NCc2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-13-24-19(14-22-18)23-12-15-8-10-16(21)11-9-15/h3-11,13-14H,2,12H2,1H3,(H,23,24)
InChIKeyZROVNAKJLOYRCZ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.41
Rot. Bonds6

About 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide

5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109282125) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
PubChem CID109282125
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NCc2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-13-24-19(14-22-18)23-12-15-8-10-16(21)11-9-15/h3-11,13-14H,2,12H2,1H3,(H,23,24)
InChIKeyZROVNAKJLOYRCZ-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291719
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280656

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide (CID 109282125) is 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(NCc2ccc(Cl)cc2)cn1)c1ccccc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is ZROVNAKJLOYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-13-24-19(14-22-18)23-12-15-8-10-16(21)11-9-15/h3-11,13-14H,2,12H2,1H3,(H,23,24).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109282125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).