3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

C24H25N5O2 — CID 158922559

IUPAC3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCc1ncc(-c2cccc(C(=O)N3CCN(C)CC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-17-22(23(30)26-20-9-4-3-5-10-20)27-21(16-25-17)18-7-6-8-19(15-18)24(31)29-13-11-28(2)12-14-29/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)
InChIKeyPVNXCBFWXZZDDN-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.09
Rot. Bonds4

About 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 158922559) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID158922559
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCc1ncc(-c2cccc(C(=O)N3CCN(C)CC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-17-22(23(30)26-20-9-4-3-5-10-20)27-21(16-25-17)18-7-6-8-19(15-18)24(31)29-13-11-28(2)12-14-29/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)
InChIKeyPVNXCBFWXZZDDN-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 158094403
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
3-methyl-N-phenyl-6-[4-(4-prop-2-ynylpiperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
CID 158896639
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3-carbamoylphenyl)-3-methyl-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160655859
6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 161457477
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 158922559) is 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide is Cc1ncc(-c2cccc(C(=O)N3CCN(C)CC3)c2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is PVNXCBFWXZZDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-22(23(30)26-20-9-4-3-5-10-20)27-21(16-25-17)18-7-6-8-19(15-18)24(31)29-13-11-28(2)12-14-29/h3-10,15-16H,11-14H2,1-2H3,(H,26,30).
What are the key properties of 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 158922559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).