3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide

C25H22N6O2 — CID 68651173

IUPAC3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cncc(C(=O)NCc3ccccc3-c3ccccc3)c2)cnc1N
InChIInChI=1S/C25H22N6O2/c1-27-25(33)22-23(26)29-15-21(31-22)18-11-19(13-28-12-18)24(32)30-14-17-9-5-6-10-20(17)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H2,26,29)(H,27,33)(H,30,32)
InChIKeyQFMOOFLXTLEJOV-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.08
Rot. Bonds6

About 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 68651173) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID68651173
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cncc(C(=O)NCc3ccccc3-c3ccccc3)c2)cnc1N
InChIInChI=1S/C25H22N6O2/c1-27-25(33)22-23(26)29-15-21(31-22)18-11-19(13-28-12-18)24(32)30-14-17-9-5-6-10-20(17)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H2,26,29)(H,27,33)(H,30,32)
InChIKeyQFMOOFLXTLEJOV-UHFFFAOYSA-N
XLogP3.08
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide (CID 68651173) is 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cncc(C(=O)NCc3ccccc3-c3ccccc3)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is QFMOOFLXTLEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-27-25(33)22-23(26)29-15-21(31-22)18-11-19(13-28-12-18)24(32)30-14-17-9-5-6-10-20(17)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H2,26,29)(H,27,33)(H,30,32).
What are the key properties of 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).