3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide

C25H28N6O2 — CID 59471795

IUPAC3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN(C)C1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C25H28N6O2/c1-30(2)20-12-14-31(15-13-20)25(33)18-10-8-17(9-11-18)21-16-27-23(26)22(29-21)24(32)28-19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3,(H2,26,27)(H,28,32)
InChIKeyKZZOTYKZDPKVCG-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.14
Rot. Bonds5

About 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59471795) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59471795
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN(C)C1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C25H28N6O2/c1-30(2)20-12-14-31(15-13-20)25(33)18-10-8-17(9-11-18)21-16-27-23(26)22(29-21)24(32)28-19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3,(H2,26,27)(H,28,32)
InChIKeyKZZOTYKZDPKVCG-UHFFFAOYSA-N
XLogP3.14
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 59471795) is 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide is CN(C)C1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1.
What is the InChIKey of 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is KZZOTYKZDPKVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-30(2)20-12-14-31(15-13-20)25(33)18-10-8-17(9-11-18)21-16-27-23(26)22(29-21)24(32)28-19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3,(H2,26,27)(H,28,32).
What are the key properties of 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59471795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).