3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide

C26H25N5O — CID 68651279

IUPAC3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CNCc3ccccc3-c3ccccc3)c2)cnc1N
InChIInChI=1S/C26H25N5O/c1-28-26(32)24-25(27)30-17-23(31-24)20-12-7-8-18(14-20)15-29-16-21-11-5-6-13-22(21)19-9-3-2-4-10-19/h2-14,17,29H,15-16H2,1H3,(H2,27,30)(H,28,32)
InChIKeyVHAMEVNNHFGHBM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.04
Rot. Bonds7

About 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 68651279) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
PubChem CID68651279
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CNCc3ccccc3-c3ccccc3)c2)cnc1N
InChIInChI=1S/C26H25N5O/c1-28-26(32)24-25(27)30-17-23(31-24)20-12-7-8-18(14-20)15-29-16-21-11-5-6-13-22(21)19-9-3-2-4-10-19/h2-14,17,29H,15-16H2,1H3,(H2,27,30)(H,28,32)
InChIKeyVHAMEVNNHFGHBM-UHFFFAOYSA-N
XLogP4.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide (CID 68651279) is 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(CNCc3ccccc3-c3ccccc3)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is VHAMEVNNHFGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-28-26(32)24-25(27)30-17-23(31-24)20-12-7-8-18(14-20)15-29-16-21-11-5-6-13-22(21)19-9-3-2-4-10-19/h2-14,17,29H,15-16H2,1H3,(H2,27,30)(H,28,32).
What are the key properties of 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).