N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide

C19H24ClN5O — CID 109286468

IUPACN-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C19H24ClN5O/c1-19(2,3)23-18(26)16-12-22-17(13-21-16)25-9-7-24(8-10-25)15-6-4-5-14(20)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,23,26)
InChIKeyQGLBGZPIFYIFBM-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.98
Rot. Bonds3

About N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide

N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 109286468) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID109286468
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C19H24ClN5O/c1-19(2,3)23-18(26)16-12-22-17(13-21-16)25-9-7-24(8-10-25)15-6-4-5-14(20)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,23,26)
InChIKeyQGLBGZPIFYIFBM-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179502
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide (CID 109286468) is N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide is CC(C)(C)NC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is QGLBGZPIFYIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-19(2,3)23-18(26)16-12-22-17(13-21-16)25-9-7-24(8-10-25)15-6-4-5-14(20)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,23,26).
What are the key properties of N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide?
N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 109286468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).