6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide

C16H18ClN5O — CID 57327107

IUPAC6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-6-8-22(9-7-21)14-5-3-2-4-12(14)20-16(23)13-10-18-11-15(17)19-13/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyUTTJQSLMAZSPCL-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.13
Rot. Bonds3

About 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide

6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 57327107) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID57327107
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-6-8-22(9-7-21)14-5-3-2-4-12(14)20-16(23)13-10-18-11-15(17)19-13/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyUTTJQSLMAZSPCL-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
CID 57327084
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51111953
6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide
CID 103337581
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide (CID 57327107) is 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide is CN1CCN(c2ccccc2NC(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is UTTJQSLMAZSPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-21-6-8-22(9-7-21)14-5-3-2-4-12(14)20-16(23)13-10-18-11-15(17)19-13/h2-5,10-11H,6-9H2,1H3,(H,20,23).
What are the key properties of 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 57327107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).