6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide

C23H25N5O2 — CID 163595225

IUPAC6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O2/c1-4-14-24-21-20(22(29)26-18-8-6-5-7-9-18)27-19(15-25-21)16-10-12-17(13-11-16)23(30)28(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25)(H,26,29)
InChIKeyGSWDSYQWIROARF-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.92
Rot. Bonds7

About 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide

6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide (PubChem CID 163595225) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide
PubChem CID163595225
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O2/c1-4-14-24-21-20(22(29)26-18-8-6-5-7-9-18)27-19(15-25-21)16-10-12-17(13-11-16)23(30)28(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25)(H,26,29)
InChIKeyGSWDSYQWIROARF-UHFFFAOYSA-N
XLogP3.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3235401
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 161457477
4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 135269919
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
4-(4-anilinopyrimidin-5-yl)-N,N-dimethylbenzamide
CID 3235503
3-methyl-N-phenyl-6-[4-(4-prop-2-ynylpiperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
CID 158896639
4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 157321398

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide (CID 163595225) is 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide is CCCNc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide?
The InChIKey is GSWDSYQWIROARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-4-14-24-21-20(22(29)26-18-8-6-5-7-9-18)27-19(15-25-21)16-10-12-17(13-11-16)23(30)28(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25)(H,26,29).
What are the key properties of 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide?
6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylcarbamoyl)phenyl]-N-phenyl-3-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 163595225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).