3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide

C24H26N6O2 — CID 59471629

IUPAC3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1
InChIInChI=1S/C24H26N6O2/c1-30-12-10-19(11-13-30)27-23(31)17-7-5-6-16(14-17)20-15-26-22(25)21(29-20)24(32)28-18-8-3-2-4-9-18/h2-9,14-15,19H,10-13H2,1H3,(H2,25,26)(H,27,31)(H,28,32)
InChIKeyYPWRRMUFJLSBFA-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59471629) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59471629
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1
InChIInChI=1S/C24H26N6O2/c1-30-12-10-19(11-13-30)27-23(31)17-7-5-6-16(14-17)20-15-26-22(25)21(29-20)24(32)28-18-8-3-2-4-9-18/h2-9,14-15,19H,10-13H2,1H3,(H2,25,26)(H,27,31)(H,28,32)
InChIKeyYPWRRMUFJLSBFA-UHFFFAOYSA-N
XLogP2.80
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 59471629) is 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide is CN1CCC(NC(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1.
What is the InChIKey of 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is YPWRRMUFJLSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-30-12-10-19(11-13-30)27-23(31)17-7-5-6-16(14-17)20-15-26-22(25)21(29-20)24(32)28-18-8-3-2-4-9-18/h2-9,14-15,19H,10-13H2,1H3,(H2,25,26)(H,27,31)(H,28,32).
What are the key properties of 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59471629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).