5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide

C12H18ClN5O — CID 107371808

IUPAC5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H18ClN5O/c1-17-4-6-18(7-5-17)3-2-14-12(19)10-8-16-11(13)9-15-10/h8-9H,2-7H2,1H3,(H,14,19)
InChIKeyCWNQZBQLDWSZKP-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.11
Rot. Bonds4

About 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide

5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 107371808) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID107371808
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H18ClN5O/c1-17-4-6-18(7-5-17)3-2-14-12(19)10-8-16-11(13)9-15-10/h8-9H,2-7H2,1H3,(H,14,19)
InChIKeyCWNQZBQLDWSZKP-UHFFFAOYSA-N
XLogP0.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 81316862
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
5-(methylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 107374273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide (CID 107371808) is 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide is CN1CCN(CCNC(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is CWNQZBQLDWSZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-17-4-6-18(7-5-17)3-2-14-12(19)10-8-16-11(13)9-15-10/h8-9H,2-7H2,1H3,(H,14,19).
What are the key properties of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107371808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).