3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide

C23H23N5O3 — CID 59471720

IUPAC3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)NC3CCOCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N5O3/c24-21-20(23(30)27-17-4-2-1-3-5-17)28-19(14-25-21)15-6-8-16(9-7-15)22(29)26-18-10-12-31-13-11-18/h1-9,14,18H,10-13H2,(H2,24,25)(H,26,29)(H,27,30)
InChIKeyYNCMJZPHSJQXOT-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.89
Rot. Bonds5

About 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59471720) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59471720
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)NC3CCOCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N5O3/c24-21-20(23(30)27-17-4-2-1-3-5-17)28-19(14-25-21)15-6-8-16(9-7-15)22(29)26-18-10-12-31-13-11-18/h1-9,14,18H,10-13H2,(H2,24,25)(H,26,29)(H,27,30)
InChIKeyYNCMJZPHSJQXOT-UHFFFAOYSA-N
XLogP2.89
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
CID 52937150
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
CID 117079194

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 59471720) is 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(C(=O)NC3CCOCC3)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is YNCMJZPHSJQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-21-20(23(30)27-17-4-2-1-3-5-17)28-19(14-25-21)15-6-8-16(9-7-15)22(29)26-18-10-12-31-13-11-18/h1-9,14,18H,10-13H2,(H2,24,25)(H,26,29)(H,27,30).
What are the key properties of 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59471720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).