N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C16H17Cl2N5O — CID 109278402

IUPACN-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2cnc(C(=O)Nc3ccc(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C16H17Cl2N5O/c1-22-4-6-23(7-5-22)15-10-19-14(9-20-15)16(24)21-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7H2,1H3,(H,21,24)
InChIKeyNCFWXEOCFACGEH-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.79
Rot. Bonds3

About N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109278402) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109278402
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC NameN-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2cnc(C(=O)Nc3ccc(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C16H17Cl2N5O/c1-22-4-6-23(7-5-22)15-10-19-14(9-20-15)16(24)21-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7H2,1H3,(H,21,24)
InChIKeyNCFWXEOCFACGEH-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 21072746
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109278402) is N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CN1CCN(c2cnc(C(=O)Nc3ccc(Cl)cc3Cl)cn2)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is NCFWXEOCFACGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c1-22-4-6-23(7-5-22)15-10-19-14(9-20-15)16(24)21-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7H2,1H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).